2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid

C14H17NO3 — CID 113360982

IUPAC2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1ccc(NC(=O)C2CCCC2C(=O)O)cc1
InChIInChI=1S/C14H17NO3/c1-9-5-7-10(8-6-9)15-13(16)11-3-2-4-12(11)14(17)18/h5-8,11-12H,2-4H2,1H3,(H,15,16)(H,17,18)
InChIKeyRMYRZHLGGMSLIR-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.43
Rot. Bonds3

About 2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid

2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 113360982) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID113360982
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1ccc(NC(=O)C2CCCC2C(=O)O)cc1
InChIInChI=1S/C14H17NO3/c1-9-5-7-10(8-6-9)15-13(16)11-3-2-4-12(11)14(17)18/h5-8,11-12H,2-4H2,1H3,(H,15,16)(H,17,18)
InChIKeyRMYRZHLGGMSLIR-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390370
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
N-(4-methylphenyl)-2-prop-1-en-2-ylcyclohexane-1-carboxamide
CID 177026780
cis-(1S,2R)-2-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 7312287
trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 774391
trans-(1S,2S)-2-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 40976557
cis-(1R,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 853832
cis-(1S,2R)-2-[[4-(dimethylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 41097683
cis-(1S,2R)-2-[(4-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 696808
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511
2-[[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 66738360
2-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107571596

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 113360982) is 2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid is Cc1ccc(NC(=O)C2CCCC2C(=O)O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is RMYRZHLGGMSLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-5-7-10(8-6-9)15-13(16)11-3-2-4-12(11)14(17)18/h5-8,11-12H,2-4H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113360982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).