2-aminopentanimidic acid

AlkaPlorer ID: AK077999

Synonym: None

IUPAC Name: (2S)-2-aminopentanamide

Structure

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

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InChI: InChI=1S/C5H12N2O/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H2,7,8)/t4-/m0/s1

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InChIKey: UZRUKLJLGXLGDM-BYPYZUCNSA-N

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Reference

PubChem CID: 447593

NPASS: NPC11311

Properties Information

Molecule Weight: 116.164

TPSA: 70.10000000000001

MolLogP: 0.6490700000000001

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii Inhibition 7.62 % 10.6019/CHEMBL4513160
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition -2.43 % 10.6019/CHEMBL4513160
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition 18.56 % 10.6019/CHEMBL4513160
None Unchecked Percent Effect -5.786 % 10.6019/CHEMBL3988442
None Unchecked Percent Effect 20.41 % 10.6019/CHEMBL3988442
None Unchecked Percent Effect 21.38 % 10.6019/CHEMBL3988442

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT006166 CC(C)[C@@H](N)C(N)=O>>CCC[C@H](N)C(N)=O enzymemap_86863
AKRT006352 CC(C)[C@H](N)C(N)=O>>CCC[C@H](N)C(N)=O enzymemap_86863
AKRT009595 CCC[C@H](N)C(N)=O>>CC(C)[C@@H](N)C(N)=O enzymemap_86863
AKRT009596 CCC[C@H](N)C(N)=O>>CC(C)[C@H](N)C(N)=O enzymemap_86863
AKRT009597 CCC[C@H](N)C(N)=O>>CCC[C@H](N)C(=O)O enzymemap_64918