cis-(1R,3S)-3-phenacylcyclopentane-1-carboxylic acid

C14H16O3 — CID 24722332

IUPACcis-(1R,3S)-3-phenacylcyclopentane-1-carboxylic acid
SMILESO=C(C[C@H]1CC[C@@H](C(=O)O)C1)c1ccccc1
InChIInChI=1S/C14H16O3/c15-13(11-4-2-1-3-5-11)9-10-6-7-12(8-10)14(16)17/h1-5,10,12H,6-9H2,(H,16,17)/t10-,12+/m0/s1
InChIKeyKUSALHNDZJBSBH-CMPLNLGQSA-N
MW232.28 g/mol
LogP2.76
Rot. Bonds4

About cis-(1R,3S)-3-phenacylcyclopentane-1-carboxylic acid

cis-(1R,3S)-3-phenacylcyclopentane-1-carboxylic acid (PubChem CID 24722332) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is cis-(1R,3S)-3-phenacylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-phenacylcyclopentane-1-carboxylic acid
PubChem CID24722332
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Namecis-(1R,3S)-3-phenacylcyclopentane-1-carboxylic acid
SMILESO=C(C[C@H]1CC[C@@H](C(=O)O)C1)c1ccccc1
InChIInChI=1S/C14H16O3/c15-13(11-4-2-1-3-5-11)9-10-6-7-12(8-10)14(16)17/h1-5,10,12H,6-9H2,(H,16,17)/t10-,12+/m0/s1
InChIKeyKUSALHNDZJBSBH-CMPLNLGQSA-N
XLogP2.76
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1R,3S)-3-phenacylcyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenacylcyclohexane-1-carboxylic acid
CID 53436258
3-[2-(2-bromophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 53436282
3-[2-(3-chlorophenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 53436295
4-(2-oxo-2-pyridin-4-ylethyl)cyclohexane-1-carboxylic acid
CID 142888407
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
2-(3-ethylcyclohexyl)-1-phenylethanone
CID 79428507
4-[2-(3-methylphenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 24722573
3-[2-(2-chlorophenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 53436283
(1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid
CID 146210075
3-(anilinomethyl)cyclopentane-1-carboxylic acid
CID 105474187
7-phenacylbicyclo[3.3.1]nonan-3-one
CID 102002811
2-(2-bromocyclopropyl)-1-phenylethanone
CID 174508043

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-phenacylcyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-phenacylcyclopentane-1-carboxylic acid (CID 24722332) is cis-(1R,3S)-3-phenacylcyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-phenacylcyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-phenacylcyclopentane-1-carboxylic acid is O=C(C[C@H]1CC[C@@H](C(=O)O)C1)c1ccccc1.
What is the InChIKey of cis-(1R,3S)-3-phenacylcyclopentane-1-carboxylic acid?
The InChIKey is KUSALHNDZJBSBH-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H16O3/c15-13(11-4-2-1-3-5-11)9-10-6-7-12(8-10)14(16)17/h1-5,10,12H,6-9H2,(H,16,17)/t10-,12+/m0/s1.
What are the key properties of cis-(1R,3S)-3-phenacylcyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-phenacylcyclopentane-1-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-phenacylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 24722332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).