Summary

IMPPAT Phytochemical identifier: IMPHY016654

Phytochemical name: Ethyl methylcarbamate

Synonymous chemical names:
ethyl n-methylcarbamate

External chemical identifiers:
CID:7752, ChEMBL:CHEMBL1232511, ZINC:ZINC000001648261, FDASRS:1W34GCF5CS, SureChEMBL:SCHEMBL42229, MolPort-001-780-046

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Chemical structure information

SMILES:
CCOC(=O)NC

InChI:
InChI=1S/C4H9NO2/c1-3-7-4(6)5-2/h3H2,1-2H3,(H,5,6)

InChIKey:
SURZCVYFPAXNGN-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)NC

Functional groups:
CNC(=O)OC

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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: -0.546

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Chemical structure download