(3S)-3-hydroxy-3-phenylpropanoic acid

C9H10O3 — CID 2735057

IUPAC(3S)-3-hydroxy-3-phenylpropanoic acid
SMILESO=C(O)C[C@H](O)c1ccccc1
InChIInChI=1S/C9H10O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1
InChIKeyAYOLELPCNDVZKZ-QMMMGPOBSA-N
MW166.18 g/mol
LogP1.19
Rot. Bonds3

About (3S)-3-hydroxy-3-phenylpropanoic acid

(3S)-3-hydroxy-3-phenylpropanoic acid (PubChem CID 2735057) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-phenylpropanoic acid
PubChem CID2735057
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name(3S)-3-hydroxy-3-phenylpropanoic acid
SMILESO=C(O)C[C@H](O)c1ccccc1
InChIInChI=1S/C9H10O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1
InChIKeyAYOLELPCNDVZKZ-QMMMGPOBSA-N
XLogP1.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-3-hydroxy-3-phenylpropanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-phenylpropanoic acid?
The IUPAC name of (3S)-3-hydroxy-3-phenylpropanoic acid (CID 2735057) is (3S)-3-hydroxy-3-phenylpropanoic acid.
What is the SMILES notation for (3S)-3-hydroxy-3-phenylpropanoic acid?
The canonical SMILES for (3S)-3-hydroxy-3-phenylpropanoic acid is O=C(O)C[C@H](O)c1ccccc1.
What is the InChIKey of (3S)-3-hydroxy-3-phenylpropanoic acid?
The InChIKey is AYOLELPCNDVZKZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1.
What are the key properties of (3S)-3-hydroxy-3-phenylpropanoic acid?
(3S)-3-hydroxy-3-phenylpropanoic acid has a molecular weight of 166.18 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-phenylpropanoic acid is sourced from PubChem (CID 2735057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).