Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

HM0 : Summary

Code

HM0

One-letter code

X

Molecule name

1-cyclobutylimidazole-2-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 1-cyclobutylimidazole-2-carboxylic acid

Formula

C8 H10 N2 O2

Formal charge

0

Molecular weight

166.177 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)c1nccn1C2CCC2
SMILES OpenEye OEToolkits 2.0.7 c1cn(c(n1)C(=O)O)C2CCC2
Canonical SMILES CACTVS 3.385 OC(=O)c1nccn1C2CCC2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cn(c(n1)C(=O)O)C2CCC2

IUPAC InChI

InChI=1S/C8H10N2O2/c11-8(12)7-9-4-5-10(7)6-2-1-3-6/h4-6H,1-3H2,(H,11,12)

IUPAC InChI key

NZCLFPVXVQMPNV-UHFFFAOYSA-N
HM0

wwPDB Information

Atom count

22 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-01-19

Last modified at

2022-01-14

Status

Released

Obsoleted

Not Assigned