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name Structure Reference Source Properties Activities Metabolism

2-Methylaminoacetic acid

AlkaPlorer ID: AK001462

Synonym: N-Methylglycine, Sarcosine 

IUPAC Name: 2-(methylamino)acetic acid

Structure

SMILES: CNCC(=O)O

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InChI: InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)

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InChIKey: FSYKKLYZXJSNPZ-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None None None None None None Fungi Eukaryota
None None None None None None Fungi Eukaryota

Properties Information

Molecule Weight: 89.09399999999998

TPSA？: 49.33

MolLogP？: -0.7096000000000002

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Escherichia coli K-12 Beta-lactamase AmpC Potency 100000.0 nM None
Homo sapiens DNA polymerase iota Potency 25118.9 nM None
Homo sapiens Geminin Potency 183.6 nM None
Homo sapiens Glycine transporter 1 IC50 91000.0 nM 10.1021/acs.jmedchem.7b00956
Homo sapiens Histone deacetylase 6 Inhibition -5.6 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 15.91 % 10.6019/CHEMBL4808148
Homo sapiens Proton-coupled amino acid transporter 1 Ki 1900000.0 nM 10.1016/j.bmc.2011.08.058
Homo sapiens Proton-coupled amino acid transporter 1 pKi -0.28 mM 10.1016/j.bmc.2011.08.058
Homo sapiens TAR DNA-binding protein 43 Potency 35481.3 nM None
Plasmodium falciparum Plasmodium falciparum Potency 4147.5 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 0.8543 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 31.14 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.17 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.33 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 36.7 % 10.21203/rs.3.rs-23951/v1
None No relevant target LogP 0.03 None 10.1021/jm00379a002
None Unchecked IC50 350000.0 nM 10.1021/jm00129a016
None Unchecked Potency 1995.3 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT000095 *C(=O)CC[C@H](NC(=O)c1ccc(NC[C@H]2CNc3nc(N)[nH]c(=O)c3N2)cc1)C(=O)O.CNCC(=O)O>>*C(=O)CC[C@H](NC(=O)c1ccc(N2C[C@H]3CNc4nc(N)[nH]c(=O)c4N3C2)cc1)C(=O)O RXN-22741
AKRT001952 C=O.CNCC(=O)O>>CN(C)CC(=O)O MNXR135115
AKRT001958 C=O.NCC(=O)O>>CNCC(=O)O MNXR135070
AKRT004290 CC(=O)OP(=O)(O)O.CN>>CNCC(=O)O MNXR149821
AKRT010371 CN(C)CC(=O)O>>CNCC(=O)O RXN-22744
AKRT010446 CN(CC(=O)O)C(=N)N>>CNCC(=O)O CREATINASE-RXN
AKRT010447 CN(CC(=O)O)C(=N)N>>CNCC(=O)O.NC(N)=O None
AKRT010454 CN(CC(=O)O)C(N)=O>>CNCC(=O)O N-CARBAMOYLSARCOSINE-AMIDASE-RXN
AKRT010455 CN(CC(=O)O)C(N)=O>>CNCC(=O)O.O=C=O None
AKRT010699 CNCC(=O)O.C[SAH].C[SAH]>>C[N+](C)(C)CC(=O)O R10061
AKRT010700 CNCC(=O)O.C[SAH]>>CN(C)CC(=O)O RXN-9679
AKRT010701 CNCC(=O)O.C[SAH]>>C[NH+](C)CC(=O)O enzymemap_26039
AKRT010702 CNCC(=O)O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CNCC(=O)OC1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O 58268
AKRT010703 CNCC(=O)O.NC(N)=O>>CN1CC(=O)NC1=N MNXR155018
AKRT010704 CNCC(=O)O.NCC(=O)O>>CN(CC(=O)O)C(=O)CN MNXR100361
AKRT010705 CNCC(=O)O.Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2>>Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)C[C@H]1CN2 R00611
AKRT010706 CNCC(=O)O>>C=O RXN-22743
AKRT010707 CNCC(=O)O>>C=O.NCC(=O)O None
AKRT010708 CNCC(=O)O>>CN enzymemap_22028
AKRT010709 CNCC(=O)O>>CN.O=CC(=O)O None
AKRT010710 CNCC(=O)O>>C[SAH] R00367
AKRT010711 CNCC(=O)O>>NCC(=O)O RXN-22743
AKRT010712 CNCC(=O)O>>O=CC(=O)O enzymemap_22028
AKRT012639 C[33S].NCC(=O)O>>CNCC(=O)O None
AKRT012689 C[C@@H](CCC(=O)N(C)CC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O>>CNCC(=O)O enzymemap_77033
AKRT013216 C[C@H](CCC(=O)N(C)CC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O>>CNCC(=O)O enzymemap_77033
AKRT013217 C[C@H](CCC(=O)N(C)CC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O>>CNCC(=O)O enzymemap_77038
AKRT014638 C[SAH].NCC(=O)O>>CNCC(=O)O GLYCINE-N-METHYLTRANSFERASE-RXN
AKRT017676 NCC(=O)O.Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)C[C@H]1CN2>>CNCC(=O)O MNXR104274
AKRT022905 O=C(O)CNCP(=O)(O)O[C@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O>>CNCC(=O)O RXN-17959