Summary

IMPPAT Phytochemical identifier: IMPHY005065

Phytochemical name: 4-Amino-2-methylenebutanoic acid

Synonymous chemical names:
4-amino-2-methylenebutanoic acid

External chemical identifiers:
CID:5318003, ChEBI:173414, SureChEMBL:SCHEMBL22213

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Chemical structure information

SMILES:
NCCC(=C)C(=O)O

InChI:
InChI=1S/C5H9NO2/c1-4(2-3-6)5(7)8/h1-3,6H2,(H,7,8)

InChIKey:
FTWHFXMUJQRNBK-UHFFFAOYSA-N

DeepSMILES:
NCCC=C)C=O)O

Functional groups:
C=C(C)C(=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: 1.737

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Chemical structure download