2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid

C11H15N3O3 — CID 103978844

IUPAC2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NCc1ncc[nH]1
InChIInChI=1S/C11H15N3O3/c15-10(14-6-9-12-4-5-13-9)7-2-1-3-8(7)11(16)17/h4-5,7-8H,1-3,6H2,(H,12,13)(H,14,15)(H,16,17)
InChIKeyDTDWWQHDZQBUIX-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.53
Rot. Bonds4

About 2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid

2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103978844) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103978844
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NCc1ncc[nH]1
InChIInChI=1S/C11H15N3O3/c15-10(14-6-9-12-4-5-13-9)7-2-1-3-8(7)11(16)17/h4-5,7-8H,1-3,6H2,(H,12,13)(H,14,15)(H,16,17)
InChIKeyDTDWWQHDZQBUIX-UHFFFAOYSA-N
XLogP0.53
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-imidazol-2-ylmethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391069
trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
CID 130622379
(2S)-N-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 64529963
N-(1H-imidazol-2-ylmethyl)thiolane-2-carboxamide
CID 64531828
cis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092427
1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79383293
2-(1H-imidazol-2-ylmethylamino)-2-oxoacetic acid
CID 64524937
cis-(1R,2S)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 97082416
trans-(1R,2R)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 97082415
2-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 106414778
N-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide
CID 79163270
(1S,6R)-6-[3-(1H-imidazol-2-yl)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962746

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103978844) is 2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(=O)NCc1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is DTDWWQHDZQBUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-10(14-6-9-12-4-5-13-9)7-2-1-3-8(7)11(16)17/h4-5,7-8H,1-3,6H2,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.53, 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)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).