Summary

IMPPAT Phytochemical identifier: IMPHY010914

Phytochemical name: 2-Aminobutyric acid

Synonymous chemical names:
2-aminobutyric acid, alpha-aminobutyric acid, aminobutyric acid

External chemical identifiers:
CID:6657, ChEMBL:CHEMBL55242, ChEBI:35621, FDASRS:8306QPJ19P, SureChEMBL:SCHEMBL23958, MolPort-001-771-110

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Chemical structure information

SMILES:
CCC(C(=O)O)N

InChI:
InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)

InChIKey:
QWCKQJZIFLGMSD-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)O))N

Functional groups:
CC(=O)O, CN

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 1.155

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Chemical structure download