3-(1-phenylcyclobutyl)propanoic acid

C13H16O2 — CID 91807231

IUPAC3-(1-phenylcyclobutyl)propanoic acid
SMILESO=C(O)CCC1(c2ccccc2)CCC1
InChIInChI=1S/C13H16O2/c14-12(15)7-10-13(8-4-9-13)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,15)
InChIKeyLVCVSISWWMIQBV-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.97
Rot. Bonds4

About 3-(1-phenylcyclobutyl)propanoic acid

3-(1-phenylcyclobutyl)propanoic acid (PubChem CID 91807231) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(1-phenylcyclobutyl)propanoic acid.

Molecular Properties

Compound Name3-(1-phenylcyclobutyl)propanoic acid
PubChem CID91807231
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name3-(1-phenylcyclobutyl)propanoic acid
SMILESO=C(O)CCC1(c2ccccc2)CCC1
InChIInChI=1S/C13H16O2/c14-12(15)7-10-13(8-4-9-13)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,15)
InChIKeyLVCVSISWWMIQBV-UHFFFAOYSA-N
XLogP2.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(1-phenylcyclobutyl)propanoic 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-[1-(4-chlorophenyl)cyclopropyl]propanoic acid
CID 66685624
(1-butylcyclobutyl)benzene
CID 57200184
3-(2-phenyl-1,3-dithiolan-2-yl)propanoic acid
CID 54309792
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
2-(1-phenylcyclopentyl)ethanamine;hydrochloride
CID 155970926
2-oxo-3-(1-phenylcyclohexyl)propanoic acid
CID 18551192
methyl 3-(3-phenylpiperidin-3-yl)propanoate
CID 12701342
4-(aminomethyl)-4-(2-carboxyethyl)-1-phenylcyclohexane-1-carboxylic acid
CID 70489108
3-[[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]amino]propanoic acid
CID 122018216
1-amino-N-[(1-phenylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119276343
4-oxo-4-[(1-phenylcyclopentyl)amino]butanoic acid
CID 110442749
[1-(iodomethyl)cyclopentyl]benzene
CID 19966123

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylcyclobutyl)propanoic acid?
The IUPAC name of 3-(1-phenylcyclobutyl)propanoic acid (CID 91807231) is 3-(1-phenylcyclobutyl)propanoic acid.
What is the SMILES notation for 3-(1-phenylcyclobutyl)propanoic acid?
The canonical SMILES for 3-(1-phenylcyclobutyl)propanoic acid is O=C(O)CCC1(c2ccccc2)CCC1.
What is the InChIKey of 3-(1-phenylcyclobutyl)propanoic acid?
The InChIKey is LVCVSISWWMIQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c14-12(15)7-10-13(8-4-9-13)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,15).
What are the key properties of 3-(1-phenylcyclobutyl)propanoic acid?
3-(1-phenylcyclobutyl)propanoic acid has a molecular weight of 204.27 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylcyclobutyl)propanoic acid is sourced from PubChem (CID 91807231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).