cis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid

C14H16O3 — CID 24722312

IUPACcis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid
SMILESCc1ccccc1C(=O)[C@H]1CCC[C@H]1C(=O)O
InChIInChI=1S/C14H16O3/c1-9-5-2-3-6-10(9)13(15)11-7-4-8-12(11)14(16)17/h2-3,5-6,11-12H,4,7-8H2,1H3,(H,16,17)/t11-,12+/m0/s1
InChIKeyJCFJOOWFROHYMP-NWDGAFQWSA-N
MW232.28 g/mol
LogP2.68
Rot. Bonds3

About cis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid

cis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid (PubChem CID 24722312) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is cis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid
PubChem CID24722312
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Namecis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid
SMILESCc1ccccc1C(=O)[C@H]1CCC[C@H]1C(=O)O
InChIInChI=1S/C14H16O3/c1-9-5-2-3-6-10(9)13(15)11-7-4-8-12(11)14(16)17/h2-3,5-6,11-12H,4,7-8H2,1H3,(H,16,17)/t11-,12+/m0/s1
InChIKeyJCFJOOWFROHYMP-NWDGAFQWSA-N
XLogP2.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-(2-methylbenzoyl)cyclohexane-1-carboxylic acid
CID 24722414
cis-(1S,2R)-2-(2,3-dimethylbenzoyl)cyclopentane-1-carboxylic acid
CID 90476274
2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid
CID 53411585
(1S)-2-[[(2-methylbenzoyl)amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 46738364
(2-methylphenyl)-(2-methylpyrrolidin-3-yl)methanone
CID 116592208
(3-methylcyclohexyl)-(2-methylphenyl)methanone
CID 54592977
(2,3-dimethylphenyl)-(2-methylcyclopentyl)methanone
CID 107186866
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid
CID 114391841
2-[(2-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 43399826
2-(2-hydroxy-5-methylbenzoyl)cyclohexane-1-carboxylic acid
CID 4125993
2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977682

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid (CID 24722312) is cis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid is Cc1ccccc1C(=O)[C@H]1CCC[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid?
The InChIKey is JCFJOOWFROHYMP-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H16O3/c1-9-5-2-3-6-10(9)13(15)11-7-4-8-12(11)14(16)17/h2-3,5-6,11-12H,4,7-8H2,1H3,(H,16,17)/t11-,12+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid?
cis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 24722312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).