(2S)-2-hydroxy-2-phenylbutanoic acid

C10H12O3 — CID 7188283

IUPAC(2S)-2-hydroxy-2-phenylbutanoic acid
SMILESCC[C@@](O)(C(=O)O)c1ccccc1
InChIInChI=1S/C10H12O3/c1-2-10(13,9(11)12)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3,(H,11,12)/t10-/m0/s1
InChIKeyQYCBZFRDGXIZIP-JTQLQIEISA-N
MW180.20 g/mol
LogP1.37
Rot. Bonds3

About (2S)-2-hydroxy-2-phenylbutanoic acid

(2S)-2-hydroxy-2-phenylbutanoic acid (PubChem CID 7188283) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-phenylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-phenylbutanoic acid
PubChem CID7188283
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(2S)-2-hydroxy-2-phenylbutanoic acid
SMILESCC[C@@](O)(C(=O)O)c1ccccc1
InChIInChI=1S/C10H12O3/c1-2-10(13,9(11)12)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3,(H,11,12)/t10-/m0/s1
InChIKeyQYCBZFRDGXIZIP-JTQLQIEISA-N
XLogP1.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-phenylbutanoic acid?
The IUPAC name of (2S)-2-hydroxy-2-phenylbutanoic acid (CID 7188283) is (2S)-2-hydroxy-2-phenylbutanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-2-phenylbutanoic acid?
The canonical SMILES for (2S)-2-hydroxy-2-phenylbutanoic acid is CC[C@@](O)(C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-2-phenylbutanoic acid?
The InChIKey is QYCBZFRDGXIZIP-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12O3/c1-2-10(13,9(11)12)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3,(H,11,12)/t10-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-phenylbutanoic acid?
(2S)-2-hydroxy-2-phenylbutanoic acid has a molecular weight of 180.20 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-phenylbutanoic acid is sourced from PubChem (CID 7188283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).