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

C12H12N2O5 — CID 10264764

IUPAC2-amino-3-[5-(2-hydroxyphenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid
SMILESNC(Cc1c(-c2ccccc2O)o[nH]c1=O)C(=O)O
InChIInChI=1S/C12H12N2O5/c13-8(12(17)18)5-7-10(19-14-11(7)16)6-3-1-2-4-9(6)15/h1-4,8,15H,5,13H2,(H,14,16)(H,17,18)
InChIKeyUMZPAVQEGRCODP-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.29
Rot. Bonds4

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

2-amino-3-[5-(2-hydroxyphenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid (PubChem CID 10264764) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-amino-3-[5-(2-hydroxyphenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[5-(2-hydroxyphenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid
PubChem CID10264764
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name2-amino-3-[5-(2-hydroxyphenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid
SMILESNC(Cc1c(-c2ccccc2O)o[nH]c1=O)C(=O)O
InChIInChI=1S/C12H12N2O5/c13-8(12(17)18)5-7-10(19-14-11(7)16)6-3-1-2-4-9(6)15/h1-4,8,15H,5,13H2,(H,14,16)(H,17,18)
InChIKeyUMZPAVQEGRCODP-UHFFFAOYSA-N
XLogP0.29
TPSA129.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[5-(2-hydroxyphenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid?
The IUPAC name of 2-amino-3-[5-(2-hydroxyphenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid (CID 10264764) is 2-amino-3-[5-(2-hydroxyphenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[5-(2-hydroxyphenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[5-(2-hydroxyphenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid is NC(Cc1c(-c2ccccc2O)o[nH]c1=O)C(=O)O.
What is the InChIKey of 2-amino-3-[5-(2-hydroxyphenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid?
The InChIKey is UMZPAVQEGRCODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c13-8(12(17)18)5-7-10(19-14-11(7)16)6-3-1-2-4-9(6)15/h1-4,8,15H,5,13H2,(H,14,16)(H,17,18).
What are the key properties of 2-amino-3-[5-(2-hydroxyphenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid?
2-amino-3-[5-(2-hydroxyphenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid has a molecular weight of 264.24 g/mol, XLogP of 0.29, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[5-(2-hydroxyphenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid is sourced from PubChem (CID 10264764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).