(3S)-4-cyclobutyl-3-phenylbutanoic acid

C14H18O2 — CID 165405443

IUPAC(3S)-4-cyclobutyl-3-phenylbutanoic acid
SMILESO=C(O)C[C@H](CC1CCC1)c1ccccc1
InChIInChI=1S/C14H18O2/c15-14(16)10-13(9-11-5-4-6-11)12-7-2-1-3-8-12/h1-3,7-8,11,13H,4-6,9-10H2,(H,15,16)/t13-/m0/s1
InChIKeyANWOVMWSTWKHPD-ZDUSSCGKSA-N
MW218.30 g/mol
LogP3.44
Rot. Bonds5

About (3S)-4-cyclobutyl-3-phenylbutanoic acid

(3S)-4-cyclobutyl-3-phenylbutanoic acid (PubChem CID 165405443) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (3S)-4-cyclobutyl-3-phenylbutanoic acid.

Molecular Properties

Compound Name(3S)-4-cyclobutyl-3-phenylbutanoic acid
PubChem CID165405443
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(3S)-4-cyclobutyl-3-phenylbutanoic acid
SMILESO=C(O)C[C@H](CC1CCC1)c1ccccc1
InChIInChI=1S/C14H18O2/c15-14(16)10-13(9-11-5-4-6-11)12-7-2-1-3-8-12/h1-3,7-8,11,13H,4-6,9-10H2,(H,15,16)/t13-/m0/s1
InChIKeyANWOVMWSTWKHPD-ZDUSSCGKSA-N
XLogP3.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3S)-4-cyclobutyl-3-phenylbutanoic 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

4-cyclopropyl-3-phenylbutanoic acid
CID 19827393
(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821
4-cyclohexyl-3-phenylbutanal;hydrate
CID 174480187
(2-cyclopentyl-1-phenylethyl)benzene
CID 138978826
1-cyclohexylpentan-2-ylbenzene
CID 139744385
2-cyclopentyl-1-phenylethanol
CID 15629098
ethane;3-phenylpentanoic acid
CID 142147200
1-(2-cyclobutyl-1-phenylethyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 110012921
2-cyclobutyl-1-phenylethanamine;hydrochloride
CID 131675142
3-(cyclopentylmethyl)-4-oxo-4-phenylmethoxybutanoic acid
CID 20752878
(3S)-3-amino-4-cyclobutylbutanoic acid
CID 66644622
(3S)-3-(cyclohexylmethyl)-4-oxo-4-phenylmethoxybutanoic acid
CID 59364557

Frequently Asked Questions

What is the IUPAC name of (3S)-4-cyclobutyl-3-phenylbutanoic acid?
The IUPAC name of (3S)-4-cyclobutyl-3-phenylbutanoic acid (CID 165405443) is (3S)-4-cyclobutyl-3-phenylbutanoic acid.
What is the SMILES notation for (3S)-4-cyclobutyl-3-phenylbutanoic acid?
The canonical SMILES for (3S)-4-cyclobutyl-3-phenylbutanoic acid is O=C(O)C[C@H](CC1CCC1)c1ccccc1.
What is the InChIKey of (3S)-4-cyclobutyl-3-phenylbutanoic acid?
The InChIKey is ANWOVMWSTWKHPD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18O2/c15-14(16)10-13(9-11-5-4-6-11)12-7-2-1-3-8-12/h1-3,7-8,11,13H,4-6,9-10H2,(H,15,16)/t13-/m0/s1.
What are the key properties of (3S)-4-cyclobutyl-3-phenylbutanoic acid?
(3S)-4-cyclobutyl-3-phenylbutanoic acid has a molecular weight of 218.30 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-cyclobutyl-3-phenylbutanoic acid is sourced from PubChem (CID 165405443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).