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

C12H12N2O4 — CID 10014883

IUPAC2-amino-3-(3-oxo-5-phenyl-1,2-oxazol-4-yl)propanoic acid
SMILESNC(Cc1c(-c2ccccc2)o[nH]c1=O)C(=O)O
InChIInChI=1S/C12H12N2O4/c13-9(12(16)17)6-8-10(18-14-11(8)15)7-4-2-1-3-5-7/h1-5,9H,6,13H2,(H,14,15)(H,16,17)
InChIKeyJCXLPVAAGYNKBT-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.59
Rot. Bonds4

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

2-amino-3-(3-oxo-5-phenyl-1,2-oxazol-4-yl)propanoic acid (PubChem CID 10014883) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-amino-3-(3-oxo-5-phenyl-1,2-oxazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-oxo-5-phenyl-1,2-oxazol-4-yl)propanoic acid
PubChem CID10014883
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2-amino-3-(3-oxo-5-phenyl-1,2-oxazol-4-yl)propanoic acid
SMILESNC(Cc1c(-c2ccccc2)o[nH]c1=O)C(=O)O
InChIInChI=1S/C12H12N2O4/c13-9(12(16)17)6-8-10(18-14-11(8)15)7-4-2-1-3-5-7/h1-5,9H,6,13H2,(H,14,15)(H,16,17)
InChIKeyJCXLPVAAGYNKBT-UHFFFAOYSA-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

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Related Compounds

(S)-2-Amino-3-(3-hydroxy-5-phenyl-isoxazol-4-yl)-propionic acid
CID 11776761
(2S,4R)-2-amino-4-[3-oxo-3-(phenylmethoxyamino)propyl]pentanedioic acid
CID 71574834
2-Amino-3-(3-hydroxy-5-phenylisoxazol-4-yl)propionic acid
CID 127884
Glutamin Benzoat
CID 129644058
(2S)-2-amino-3-[5-(4-fluorophenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid
CID 10400679
2-Amino-3-[5-(4-fluorophenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid
CID 17791411
2-Amino-4-[5-(4-fluorophenyl)-3-oxo-1,2-oxazol-4-yl]butanoic acid
CID 53875409
2-Amino-3-[3-oxo-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propanoic acid
CID 54205744
3-[5-(4-Fluorophenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid
CID 70070460
(2S)-2-amino-4-[5-(4-fluorophenyl)-3-oxo-1,2-oxazol-4-yl]butanoic acid
CID 70081480
(2S)-2-amino-3-[3-oxo-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propanoic acid
CID 70284110
2-Amino-3-[5-(2-hydroxyphenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid
CID 10264764

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-oxo-5-phenyl-1,2-oxazol-4-yl)propanoic acid?
The IUPAC name of 2-amino-3-(3-oxo-5-phenyl-1,2-oxazol-4-yl)propanoic acid (CID 10014883) is 2-amino-3-(3-oxo-5-phenyl-1,2-oxazol-4-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-oxo-5-phenyl-1,2-oxazol-4-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-oxo-5-phenyl-1,2-oxazol-4-yl)propanoic acid is NC(Cc1c(-c2ccccc2)o[nH]c1=O)C(=O)O.
What is the InChIKey of 2-amino-3-(3-oxo-5-phenyl-1,2-oxazol-4-yl)propanoic acid?
The InChIKey is JCXLPVAAGYNKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c13-9(12(16)17)6-8-10(18-14-11(8)15)7-4-2-1-3-5-7/h1-5,9H,6,13H2,(H,14,15)(H,16,17).
What are the key properties of 2-amino-3-(3-oxo-5-phenyl-1,2-oxazol-4-yl)propanoic acid?
2-amino-3-(3-oxo-5-phenyl-1,2-oxazol-4-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 2-amino-3-(3-oxo-5-phenyl-1,2-oxazol-4-yl)propanoic acid is sourced from PubChem (CID 10014883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).