(2R)-2-hydroxy-4-phenylbutanoic acid

C10H12O3 — CID 2759328

IUPAC(2R)-2-hydroxy-4-phenylbutanoic acid
SMILESO=C(O)[C@H](O)CCc1ccccc1
InChIInChI=1S/C10H12O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)/t9-/m1/s1
InChIKeyJNJCEALGCZSIGB-SECBINFHSA-N
MW180.20 g/mol
LogP1.06
Rot. Bonds4

About (2R)-2-hydroxy-4-phenylbutanoic acid

(2R)-2-hydroxy-4-phenylbutanoic acid (PubChem CID 2759328) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (2R)-2-hydroxy-4-phenylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-4-phenylbutanoic acid
PubChem CID2759328
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(2R)-2-hydroxy-4-phenylbutanoic acid
SMILESO=C(O)[C@H](O)CCc1ccccc1
InChIInChI=1S/C10H12O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)/t9-/m1/s1
InChIKeyJNJCEALGCZSIGB-SECBINFHSA-N
XLogP1.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-4-phenylbutanoic acid?
The IUPAC name of (2R)-2-hydroxy-4-phenylbutanoic acid (CID 2759328) is (2R)-2-hydroxy-4-phenylbutanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-4-phenylbutanoic acid?
The canonical SMILES for (2R)-2-hydroxy-4-phenylbutanoic acid is O=C(O)[C@H](O)CCc1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-4-phenylbutanoic acid?
The InChIKey is JNJCEALGCZSIGB-SECBINFHSA-N. The full InChI is InChI=1S/C10H12O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)/t9-/m1/s1.
What are the key properties of (2R)-2-hydroxy-4-phenylbutanoic acid?
(2R)-2-hydroxy-4-phenylbutanoic acid has a molecular weight of 180.20 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-4-phenylbutanoic acid is sourced from PubChem (CID 2759328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).