2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid

C12H13NO4 — CID 10105471

IUPAC2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)N1OCCC1=O
InChIInChI=1S/C12H13NO4/c14-11-6-7-17-13(11)10(12(15)16)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)
InChIKeySZZGBNLYLPDYHG-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.85
Rot. Bonds4

About 2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid

2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid (PubChem CID 10105471) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid
PubChem CID10105471
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)N1OCCC1=O
InChIInChI=1S/C12H13NO4/c14-11-6-7-17-13(11)10(12(15)16)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)
InChIKeySZZGBNLYLPDYHG-UHFFFAOYSA-N
XLogP0.85
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid?
The IUPAC name of 2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid (CID 10105471) is 2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid?
The canonical SMILES for 2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid is O=C(O)C(Cc1ccccc1)N1OCCC1=O.
What is the InChIKey of 2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid?
The InChIKey is SZZGBNLYLPDYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c14-11-6-7-17-13(11)10(12(15)16)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16).
What are the key properties of 2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid?
2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid has a molecular weight of 235.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,2-oxazolidin-2-yl)-3-phenylpropanoic acid is sourced from PubChem (CID 10105471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).