(2S)-3-hydroxy-2-phenylpropanoic acid

C9H10O3 — CID 785356

IUPAC(2S)-3-hydroxy-2-phenylpropanoic acid
SMILESO=C(O)[C@H](CO)c1ccccc1
InChIInChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1
InChIKeyJACRWUWPXAESPB-MRVPVSSYSA-N
MW166.18 g/mol
LogP0.85
Rot. Bonds3

About (2S)-3-hydroxy-2-phenylpropanoic acid

(2S)-3-hydroxy-2-phenylpropanoic acid (PubChem CID 785356) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-phenylpropanoic acid
PubChem CID785356
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name(2S)-3-hydroxy-2-phenylpropanoic acid
SMILESO=C(O)[C@H](CO)c1ccccc1
InChIInChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1
InChIKeyJACRWUWPXAESPB-MRVPVSSYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-phenylpropanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-phenylpropanoic acid (CID 785356) is (2S)-3-hydroxy-2-phenylpropanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-phenylpropanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-phenylpropanoic acid is O=C(O)[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-3-hydroxy-2-phenylpropanoic acid?
The InChIKey is JACRWUWPXAESPB-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1.
What are the key properties of (2S)-3-hydroxy-2-phenylpropanoic acid?
(2S)-3-hydroxy-2-phenylpropanoic acid has a molecular weight of 166.18 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-phenylpropanoic acid is sourced from PubChem (CID 785356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).