(2S)-2-amino-4-oxo-4-phenylbutanoic acid

C10H11NO3 — CID 10888792

IUPAC(2S)-2-amino-4-oxo-4-phenylbutanoic acid
SMILESN[C@@H](CC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C10H11NO3/c11-8(10(13)14)6-9(12)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,13,14)/t8-/m0/s1
InChIKeyQXRCVKLRAOSZCP-QMMMGPOBSA-N
MW193.20 g/mol
LogP0.67
Rot. Bonds4

About (2S)-2-amino-4-oxo-4-phenylbutanoic acid

(2S)-2-amino-4-oxo-4-phenylbutanoic acid (PubChem CID 10888792) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (2S)-2-amino-4-oxo-4-phenylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-oxo-4-phenylbutanoic acid
PubChem CID10888792
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(2S)-2-amino-4-oxo-4-phenylbutanoic acid
SMILESN[C@@H](CC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C10H11NO3/c11-8(10(13)14)6-9(12)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,13,14)/t8-/m0/s1
InChIKeyQXRCVKLRAOSZCP-QMMMGPOBSA-N
XLogP0.67
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-oxo-4-phenylbutanoic acid?
The IUPAC name of (2S)-2-amino-4-oxo-4-phenylbutanoic acid (CID 10888792) is (2S)-2-amino-4-oxo-4-phenylbutanoic acid.
What is the SMILES notation for (2S)-2-amino-4-oxo-4-phenylbutanoic acid?
The canonical SMILES for (2S)-2-amino-4-oxo-4-phenylbutanoic acid is N[C@@H](CC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-oxo-4-phenylbutanoic acid?
The InChIKey is QXRCVKLRAOSZCP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11NO3/c11-8(10(13)14)6-9(12)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-4-oxo-4-phenylbutanoic acid?
(2S)-2-amino-4-oxo-4-phenylbutanoic acid has a molecular weight of 193.20 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-oxo-4-phenylbutanoic acid is sourced from PubChem (CID 10888792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).