1-[(2-methylimidazol-1-yl)methyl]cyclopropane-1-carboxylic acid

C9H12N2O2 — CID 84657338

IUPAC1-[(2-methylimidazol-1-yl)methyl]cyclopropane-1-carboxylic acid
SMILESCc1nccn1CC1(C(=O)O)CC1
InChIInChI=1S/C9H12N2O2/c1-7-10-4-5-11(7)6-9(2-3-9)8(12)13/h4-5H,2-3,6H2,1H3,(H,12,13)
InChIKeyKADVTDTZKZHDBG-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.06
Rot. Bonds3

About 1-[(2-methylimidazol-1-yl)methyl]cyclopropane-1-carboxylic acid

1-[(2-methylimidazol-1-yl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 84657338) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-[(2-methylimidazol-1-yl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylimidazol-1-yl)methyl]cyclopropane-1-carboxylic acid
PubChem CID84657338
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-[(2-methylimidazol-1-yl)methyl]cyclopropane-1-carboxylic acid
SMILESCc1nccn1CC1(C(=O)O)CC1
InChIInChI=1S/C9H12N2O2/c1-7-10-4-5-11(7)6-9(2-3-9)8(12)13/h4-5H,2-3,6H2,1H3,(H,12,13)
InChIKeyKADVTDTZKZHDBG-UHFFFAOYSA-N
XLogP1.06
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-methylimidazol-1-yl)methyl]cyclopropane-1-carboxylic 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

2-(2-methylimidazol-1-yl)acetic acid;zinc
CID 175370537
4-methyl-1-(2-methylimidazol-1-yl)pent-3-en-2-one
CID 131186404
2-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]ethanethioamide
CID 65498532
1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid
CID 171928929
4-(2-methylimidazol-1-yl)butan-2-one
CID 43121484
1-butyl-2-methylimidazole;methyl hydrogen carbonate
CID 175255728
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527
3-methyl-4-(2-methylimidazol-1-yl)but-2-enoic acid
CID 77005713
3-methyl-1-(2-methylimidazol-1-yl)butan-2-one
CID 79395102
3-methyl-2-[2-(2-methylimidazol-1-yl)ethylsulfanyl]butanoic acid
CID 105354085
2-[2-(2-methylimidazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79571334
1-(cyclopropylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79571759

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylimidazol-1-yl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2-methylimidazol-1-yl)methyl]cyclopropane-1-carboxylic acid (CID 84657338) is 1-[(2-methylimidazol-1-yl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methylimidazol-1-yl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methylimidazol-1-yl)methyl]cyclopropane-1-carboxylic acid is Cc1nccn1CC1(C(=O)O)CC1.
What is the InChIKey of 1-[(2-methylimidazol-1-yl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is KADVTDTZKZHDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7-10-4-5-11(7)6-9(2-3-9)8(12)13/h4-5H,2-3,6H2,1H3,(H,12,13).
What are the key properties of 1-[(2-methylimidazol-1-yl)methyl]cyclopropane-1-carboxylic acid?
1-[(2-methylimidazol-1-yl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylimidazol-1-yl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84657338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).