Structural Complex
Chemical ID: A1JCW
IUPAC Name: ethyl carbamate
Formal Charge: 0
Type: non-polymer
Physiochemical Descriptor:
Formula: C3 H7 N O2
Molecular weight: 89.093
Hydrogen Bond Acceptor: 2
Hydrogen Bond Donor: 1
Rotatable Bonds: 2
Heavy Atoms: 6
Systematic name
Program Version Descriptor
OpenEye OEToolkits 2.0.7 ethyl carbamate
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.06 InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)
InChIKey InChI 1.06 JOYRKODLDBILNP-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 CCOC(N)=O
SMILES CACTVS 3.385 CCOC(N)=O
SMILES_CANONICAL OpenEye OEToolkits 2.0.7 CCOC(=O)N
SMILES OpenEye OEToolkits 2.0.7 CCOC(=O)N
Chemical Database Mapping
Database Reference ID
DrugBank DB04827
PubChem 5641
ChEBI 17967
ZINC ZINC000000901020
SureChEMBL SCHEMBL8136
HMDB HMDB0031219
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