2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanoic acid

C12H13NO4 — CID 12043242

IUPAC2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C12H13NO4/c1-8(11(14)15)9-2-4-10(5-3-9)13-6-7-17-12(13)16/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyCNMIBNGNPMIOKL-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.83
Rot. Bonds3

About 2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanoic acid

2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanoic acid (PubChem CID 12043242) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanoic acid
PubChem CID12043242
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C12H13NO4/c1-8(11(14)15)9-2-4-10(5-3-9)13-6-7-17-12(13)16/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyCNMIBNGNPMIOKL-UHFFFAOYSA-N
XLogP1.83
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanoic acid?
The IUPAC name of 2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanoic acid (CID 12043242) is 2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanoic acid is CC(C(=O)O)c1ccc(N2CCOC2=O)cc1.
What is the InChIKey of 2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanoic acid?
The InChIKey is CNMIBNGNPMIOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-8(11(14)15)9-2-4-10(5-3-9)13-6-7-17-12(13)16/h2-5,8H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanoic acid?
2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanoic acid has a molecular weight of 235.24 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanoic acid is sourced from PubChem (CID 12043242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).