2-(2-cyclopropylimidazol-1-yl)acetic acid

C8H10N2O2 — CID 82560357

IUPAC2-(2-cyclopropylimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1ccnc1C1CC1
InChIInChI=1S/C8H10N2O2/c11-7(12)5-10-4-3-9-8(10)6-1-2-6/h3-4,6H,1-2,5H2,(H,11,12)
InChIKeyZHLRNLFKIMNPPB-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.85
Rot. Bonds3

About 2-(2-cyclopropylimidazol-1-yl)acetic acid

2-(2-cyclopropylimidazol-1-yl)acetic acid (PubChem CID 82560357) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(2-cyclopropylimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-cyclopropylimidazol-1-yl)acetic acid
PubChem CID82560357
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(2-cyclopropylimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1ccnc1C1CC1
InChIInChI=1S/C8H10N2O2/c11-7(12)5-10-4-3-9-8(10)6-1-2-6/h3-4,6H,1-2,5H2,(H,11,12)
InChIKeyZHLRNLFKIMNPPB-UHFFFAOYSA-N
XLogP0.85
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-cyclopropylimidazol-1-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-cyclopropylimidazol-1-yl)ethyl]cyclopropanecarboxamide
CID 91628946
methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)propanoate
CID 165475415
2-(2-methylimidazol-1-yl)acetic acid;zinc
CID 175370537
2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)-2-methylpropanoate
CID 165490276
2-[2-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]imidazol-1-yl]acetamide
CID 72913616
2-[2-[1-(2-propoxyethyl)piperidin-4-yl]imidazol-1-yl]acetamide
CID 72891987
2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]imidazol-1-yl]acetamide
CID 72919642
(3S)-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]oxolane-3-carboxamide
CID 100681126
2-[2-(1-quinolin-2-ylpiperidin-4-yl)imidazol-1-yl]acetamide
CID 72938350
4-(1-prop-2-enylimidazol-2-yl)piperidine
CID 84733038
2-[3-(3-bicyclo[3.2.1]octanylamino)-2-oxopyrazin-1-yl]acetic acid
CID 167840076

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-cyclopropylimidazol-1-yl)acetic acid (CID 82560357) is 2-(2-cyclopropylimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-cyclopropylimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-cyclopropylimidazol-1-yl)acetic acid is O=C(O)Cn1ccnc1C1CC1.
What is the InChIKey of 2-(2-cyclopropylimidazol-1-yl)acetic acid?
The InChIKey is ZHLRNLFKIMNPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-7(12)5-10-4-3-9-8(10)6-1-2-6/h3-4,6H,1-2,5H2,(H,11,12).
What are the key properties of 2-(2-cyclopropylimidazol-1-yl)acetic acid?
2-(2-cyclopropylimidazol-1-yl)acetic acid has a molecular weight of 166.18 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylimidazol-1-yl)acetic acid is sourced from PubChem (CID 82560357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).