(2S)-2-amino-3-(3-oxo-4-phenyl-1,2-oxazol-5-yl)propanoic acid

C12H12N2O4 — CID 10332242

IUPAC(2S)-2-amino-3-(3-oxo-4-phenyl-1,2-oxazol-5-yl)propanoic acid
SMILESN[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1)C(=O)O
InChIInChI=1S/C12H12N2O4/c13-8(12(16)17)6-9-10(11(15)14-18-9)7-4-2-1-3-5-7/h1-5,8H,6,13H2,(H,14,15)(H,16,17)/t8-/m0/s1
InChIKeyYLCQPNQDJHQTGJ-QMMMGPOBSA-N
MW248.24 g/mol
LogP0.59
Rot. Bonds4

About (2S)-2-amino-3-(3-oxo-4-phenyl-1,2-oxazol-5-yl)propanoic acid

(2S)-2-amino-3-(3-oxo-4-phenyl-1,2-oxazol-5-yl)propanoic acid (PubChem CID 10332242) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-oxo-4-phenyl-1,2-oxazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-oxo-4-phenyl-1,2-oxazol-5-yl)propanoic acid
PubChem CID10332242
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name(2S)-2-amino-3-(3-oxo-4-phenyl-1,2-oxazol-5-yl)propanoic acid
SMILESN[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1)C(=O)O
InChIInChI=1S/C12H12N2O4/c13-8(12(16)17)6-9-10(11(15)14-18-9)7-4-2-1-3-5-7/h1-5,8H,6,13H2,(H,14,15)(H,16,17)/t8-/m0/s1
InChIKeyYLCQPNQDJHQTGJ-QMMMGPOBSA-N
XLogP0.59
TPSA109.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3-(3-oxo-4-phenyl-1,2-oxazol-5-yl)propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
(2R)-2-amino-3-(4-butyl-3-oxo-1,2-oxazol-5-yl)propanoic acid
CID 10036720
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-amino-3-phenylpropanoic acid;1,4-dihydropyrazine-2,3-dione
CID 175303624
2-amino-3-(5-butyl-3-oxo-1,2-oxazol-4-yl)propanoic acid
CID 10489524
(2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrochloride
CID 172652677
2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrate
CID 53393722
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-oxo-4-phenyl-1,2-oxazol-5-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(3-oxo-4-phenyl-1,2-oxazol-5-yl)propanoic acid (CID 10332242) is (2S)-2-amino-3-(3-oxo-4-phenyl-1,2-oxazol-5-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(3-oxo-4-phenyl-1,2-oxazol-5-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(3-oxo-4-phenyl-1,2-oxazol-5-yl)propanoic acid is N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(3-oxo-4-phenyl-1,2-oxazol-5-yl)propanoic acid?
The InChIKey is YLCQPNQDJHQTGJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12N2O4/c13-8(12(16)17)6-9-10(11(15)14-18-9)7-4-2-1-3-5-7/h1-5,8H,6,13H2,(H,14,15)(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3-oxo-4-phenyl-1,2-oxazol-5-yl)propanoic acid?
(2S)-2-amino-3-(3-oxo-4-phenyl-1,2-oxazol-5-yl)propanoic acid has a molecular weight of 248.24 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-oxo-4-phenyl-1,2-oxazol-5-yl)propanoic acid is sourced from PubChem (CID 10332242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).