2-[[(1-methylimidazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

C12H17N3O3 — CID 107971526

IUPAC2-[[(1-methylimidazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCn1cnc(C(=O)NCC2CCCC2C(=O)O)c1
InChIInChI=1S/C12H17N3O3/c1-15-6-10(14-7-15)11(16)13-5-8-3-2-4-9(8)12(17)18/h6-9H,2-5H2,1H3,(H,13,16)(H,17,18)
InChIKeyYWEGWHGZFJMOBW-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.65
Rot. Bonds4

About 2-[[(1-methylimidazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

2-[[(1-methylimidazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 107971526) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[[(1-methylimidazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(1-methylimidazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID107971526
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[[(1-methylimidazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCn1cnc(C(=O)NCC2CCCC2C(=O)O)c1
InChIInChI=1S/C12H17N3O3/c1-15-6-10(14-7-15)11(16)13-5-8-3-2-4-9(8)12(17)18/h6-9H,2-5H2,1H3,(H,13,16)(H,17,18)
InChIKeyYWEGWHGZFJMOBW-UHFFFAOYSA-N
XLogP0.65
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(1-methylimidazole-4-carbonyl)amino]methyl]cyclopentane-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

N-[(2-bromocyclohexyl)methyl]-1-methylimidazole-4-carboxamide
CID 107975123
N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide
CID 130626722
trans-(1S,2R)-2-[(pyridine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 108732321
2-[[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 166178692
2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113439196
2-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66335551
2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 79373105
2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79802782
1-methyl-N-[[(3S)-1-(4-methylphenyl)pyrrolidin-3-yl]methyl]imidazole-4-carboxamide
CID 125172091
N-(2-cycloheptyloxyethyl)-1-methylimidazole-4-carboxamide
CID 136516341
2-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 66390159
2-[[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopentane-1-carboxylic acid
CID 83084004

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methylimidazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(1-methylimidazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 107971526) is 2-[[(1-methylimidazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(1-methylimidazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(1-methylimidazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is Cn1cnc(C(=O)NCC2CCCC2C(=O)O)c1.
What is the InChIKey of 2-[[(1-methylimidazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is YWEGWHGZFJMOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15-6-10(14-7-15)11(16)13-5-8-3-2-4-9(8)12(17)18/h6-9H,2-5H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 2-[[(1-methylimidazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
2-[[(1-methylimidazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methylimidazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107971526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).