2-(1H-imidazol-2-ylmethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid

C12H17N3O3 — CID 114391069

IUPAC2-(1H-imidazol-2-ylmethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NCc2ncc[nH]2)C1
InChIInChI=1S/C12H17N3O3/c1-7-4-8(9(5-7)12(17)18)11(16)15-6-10-13-2-3-14-10/h2-3,7-9H,4-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyBWFJGGVTXOHKDV-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.77
Rot. Bonds4

About 2-(1H-imidazol-2-ylmethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid

2-(1H-imidazol-2-ylmethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114391069) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylmethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylmethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
PubChem CID114391069
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-(1H-imidazol-2-ylmethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NCc2ncc[nH]2)C1
InChIInChI=1S/C12H17N3O3/c1-7-4-8(9(5-7)12(17)18)11(16)15-6-10-13-2-3-14-10/h2-3,7-9H,4-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyBWFJGGVTXOHKDV-UHFFFAOYSA-N
XLogP0.77
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
CID 130622379
2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978844
4-methyl-2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114390788
1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79383293
cis-(1R,2S)-4-methyl-2-(1H-pyrrol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114181906
trans-(1R,2R)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 97082415
cis-(1R,2S)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 97082416
N-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide
CID 79163270
4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114390786
2-(1H-imidazol-2-ylmethylamino)-2-oxoacetic acid
CID 64524937
4-methyl-2-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114391406
4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114390996

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylmethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(1H-imidazol-2-ylmethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid (CID 114391069) is 2-(1H-imidazol-2-ylmethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(1H-imidazol-2-ylmethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(1H-imidazol-2-ylmethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(=O)NCc2ncc[nH]2)C1.
What is the InChIKey of 2-(1H-imidazol-2-ylmethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is BWFJGGVTXOHKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-4-8(9(5-7)12(17)18)11(16)15-6-10-13-2-3-14-10/h2-3,7-9H,4-6H2,1H3,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 2-(1H-imidazol-2-ylmethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid?
2-(1H-imidazol-2-ylmethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylmethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114391069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).