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N-acetyl-L-alanine

AlkaPlorer ID: AK008657

Synonym: 'N-Acetyl-S-alanine', '(S)-2-(acetylamino)propanoic acid', '2-Acetamidopropionic acid', 'Acetylalanine', 'N-Acetyl-L-alanine', 'N-acetyl-L-alpha-alanine', 'N-Acetylalanine', 'Ac-Ala-OH', 'L-N-Acetylalanine'

IUPAC Name: (2S)-2-acetamidopropanoic acid

Structure

SMILES: CC(O)=N[C@@H](C)C(=O)O

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InChI: InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1

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InChIKey: KTHDTJVBEPMMGL-VKHMYHEASA-N

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Properties Information

Molecule Weight: 131.131

TPSA？: 69.89

MolLogP？: 0.4358999999999998

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Fibrinogen C domain-containing protein 1 IC50 4000000.0 nM None
Homo sapiens Fibrinogen C domain-containing protein 1 Ratio 0.5 None None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT002517 CC(=O)N[C@@H](C)C(=O)NCC(=O)O>>CC(=O)N[C@@H](C)C(=O)O enzymemap_68089
AKRT002519 CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1>>CC(=O)N[C@@H](C)C(=O)O enzymemap_75272
AKRT002520 CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O>>CC(=O)N[C@@H](C)C(=O)O enzymemap_68110
AKRT002521 CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1>>CC(=O)N[C@@H](C)C(=O)O enzymemap_75273
AKRT002522 CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O>>CC(=O)N[C@@H](C)C(=O)O enzymemap_68054
AKRT002524 CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O>>CC(=O)N[C@@H](C)C(=O)O enzymemap_68001
AKRT002525 CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O>>CC(=O)N[C@@H](C)C(=O)O.C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O None
AKRT002527 CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O>>CC(=O)N[C@@H](C)C(=O)O enzymemap_67231
AKRT002528 CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O>>CC(=O)N[C@@H](C)C(=O)O.C[C@H](N)C(=O)N[C@@H](C)C(=O)O None
AKRT002530 CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O>>CC(=O)N[C@@H](C)C(=O)O enzymemap_68108
AKRT002531 CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O>>CC(=O)N[C@@H](C)C(=O)O enzymemap_68109
AKRT002532 CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O>>CC(=O)N[C@@H](C)C(=O)O enzymemap_68000
AKRT002533 CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O>>CC(=O)N[C@@H](C)C(=O)O.C[C@H](N)C(=O)O None
AKRT002535 CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)O>>CC(=O)N[C@@H](C)C(=O)O enzymemap_68090
AKRT002537 CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O>>CC(=O)N[C@@H](C)C(=O)O enzymemap_68088
AKRT002539 CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O>>CC(=O)N[C@@H](C)C(=O)O enzymemap_68064
AKRT002541 CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)O>>CC(=O)N[C@@H](C)C(=O)O enzymemap_68085
AKRT002543 CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>CC(=O)N[C@@H](C)C(=O)O enzymemap_68082
AKRT002545 CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O>>CC(=O)N[C@@H](C)C(=O)O enzymemap_68084
AKRT002548 CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>CC(=O)N[C@@H](C)C(=O)O enzymemap_68083
AKRT002550 CC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)[C@@H](C)O>>CC(=O)N[C@@H](C)C(=O)O enzymemap_68086
AKRT002553 CC(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1>>CC(=O)N[C@@H](C)C(=O)O enzymemap_68017
AKRT002554 CC(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1>>CC(=O)N[C@@H](C)C(=O)O.Nc1ccc([N+](=O)[O-])cc1 None
AKRT002555 CC(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1>>CC(=O)N[C@@H](C)C(=O)O enzymemap_68016
AKRT002556 CC(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1>>CC(=O)N[C@@H](C)C(=O)O.Cc1cc(=O)oc2cc(N)ccc12 None
AKRT002557 CC(=O)N[C@@H](C)C(=O)Nc1ccc2ccccc2c1>>CC(=O)N[C@@H](C)C(=O)O enzymemap_68091
AKRT002558 CC(=O)N[C@@H](C)C(=O)O>>CC(=O)N[C@H](C)C(=O)O enzymemap_86867
AKRT002559 CC(=O)N[C@@H](C)C(=O)O>>CC(=O)O 52628
AKRT002560 CC(=O)N[C@@H](C)C(=O)O>>CC(=O)O.C[C@H](N)C(=O)O None
AKRT002561 CC(=O)N[C@@H](C)C(=O)O>>CC(=O)[CoA] MNXR103592
AKRT002562 CC(=O)N[C@@H](C)C(=O)O>>C[C@H](N)C(=O)O 52628
AKRT002563 CC(=O)N[C@@H](C)C(=O)Oc1cccc2ccccc12>>CC(=O)N[C@@H](C)C(=O)O enzymemap_51461
AKRT003081 CC(=O)N[C@H](C)C(=O)O>>CC(=O)N[C@@H](C)C(=O)O enzymemap_86867
AKRT004576 CC(=O)[CoA].C[C@H](N)C(=O)O>>CC(=O)N[C@@H](C)C(=O)O enzymemap_31458
AKRT007258 CCC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(C)=O)C(C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(N)=O>>CC(=O)N[C@@H](C)C(=O)O enzymemap_71253
AKRT009727 CCOC(=O)[C@H](C)NC(C)=O>>CC(=O)N[C@@H](C)C(=O)O enzymemap_68065
AKRT011093 COC(=O)[C@H](C)NC(C)=O>>CC(=O)N[C@@H](C)C(=O)O enzymemap_70545
AKRT012498 CSCC[C@H](NC(=O)[C@H](C)NC(C)=O)C(=O)O>>CC(=O)N[C@@H](C)C(=O)O enzymemap_67989