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

C12H11FN2O4 — CID 10400679

IUPAC(2S)-2-amino-3-[5-(4-fluorophenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid
SMILESN[C@@H](Cc1c(-c2ccc(F)cc2)o[nH]c1=O)C(=O)O
InChIInChI=1S/C12H11FN2O4/c13-7-3-1-6(2-4-7)10-8(11(16)15-19-10)5-9(14)12(17)18/h1-4,9H,5,14H2,(H,15,16)(H,17,18)/t9-/m0/s1
InChIKeyZQWDXAWMFRFJKG-VIFPVBQESA-N
MW266.23 g/mol
LogP0.73
Rot. Bonds4

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

(2S)-2-amino-3-[5-(4-fluorophenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid (PubChem CID 10400679) has the molecular formula C12H11FN2O4 and a molecular weight of 266.23 g/mol. Its IUPAC name is (2S)-2-amino-3-[5-(4-fluorophenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[5-(4-fluorophenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid
PubChem CID10400679
Molecular FormulaC12H11FN2O4
Molecular Weight266.23 g/mol
Exact Mass266.07
IUPAC Name(2S)-2-amino-3-[5-(4-fluorophenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid
SMILESN[C@@H](Cc1c(-c2ccc(F)cc2)o[nH]c1=O)C(=O)O
InChIInChI=1S/C12H11FN2O4/c13-7-3-1-6(2-4-7)10-8(11(16)15-19-10)5-9(14)12(17)18/h1-4,9H,5,14H2,(H,15,16)(H,17,18)/t9-/m0/s1
InChIKeyZQWDXAWMFRFJKG-VIFPVBQESA-N
XLogP0.73
TPSA109.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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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
2-Amino-3-(3-hydroxy-5-phenyl-isoxazol-4-yl)-propionic acid
CID 10014883
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-2-[3-oxo-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]acetic acid
CID 54021552
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-2-[3-oxo-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]acetic acid
CID 70282410
(2S)-2-amino-3-[3-oxo-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propanoic acid
CID 70284110

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[5-(4-fluorophenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[5-(4-fluorophenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid (CID 10400679) is (2S)-2-amino-3-[5-(4-fluorophenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[5-(4-fluorophenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[5-(4-fluorophenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid is N[C@@H](Cc1c(-c2ccc(F)cc2)o[nH]c1=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[5-(4-fluorophenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid?
The InChIKey is ZQWDXAWMFRFJKG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H11FN2O4/c13-7-3-1-6(2-4-7)10-8(11(16)15-19-10)5-9(14)12(17)18/h1-4,9H,5,14H2,(H,15,16)(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-[5-(4-fluorophenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid?
(2S)-2-amino-3-[5-(4-fluorophenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid has a molecular weight of 266.23 g/mol, XLogP of 0.73, 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-[5-(4-fluorophenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid is sourced from PubChem (CID 10400679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).