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

C15H19NO3 — CID 114390370

IUPAC4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1ccc(NC(=O)C2CC(C)CC2C(=O)O)cc1
InChIInChI=1S/C15H19NO3/c1-9-3-5-11(6-4-9)16-14(17)12-7-10(2)8-13(12)15(18)19/h3-6,10,12-13H,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHQVQJRXHIJVGEI-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.68
Rot. Bonds3

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

4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114390370) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114390370
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1ccc(NC(=O)C2CC(C)CC2C(=O)O)cc1
InChIInChI=1S/C15H19NO3/c1-9-3-5-11(6-4-9)16-14(17)12-7-10(2)8-13(12)15(18)19/h3-6,10,12-13H,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHQVQJRXHIJVGEI-UHFFFAOYSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113360982
4-methyl-2-[(3-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390373
2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868238
2-[(4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270389
2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54918615
1-N-tert-butyl-2-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139589
2-N-(4-methylphenyl)-1-N-(4-phenoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109141175
cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93346846
cis-(1S,2R)-2-[(4-bromo-3-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320575
2-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868227
N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906596
(1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939209

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114390370) is 4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid is Cc1ccc(NC(=O)C2CC(C)CC2C(=O)O)cc1.
What is the InChIKey of 4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is HQVQJRXHIJVGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9-3-5-11(6-4-9)16-14(17)12-7-10(2)8-13(12)15(18)19/h3-6,10,12-13H,7-8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114390370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).