2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid

C12H13NO4 — CID 57373165

IUPAC2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid
SMILESCC(C(=O)O)[C@H]1NC(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C12H13NO4/c1-7(11(14)15)9-10(17-12(16)13-9)8-5-3-2-4-6-8/h2-7,9-10H,1H3,(H,13,16)(H,14,15)/t7?,9-,10+/m1/s1
InChIKeyOXUZLOWKUBKCJZ-MKSVKPQVSA-N
MW235.24 g/mol
LogP1.56
Rot. Bonds3

About 2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid

2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid (PubChem CID 57373165) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid.

Molecular Properties

Compound Name2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid
PubChem CID57373165
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid
SMILESCC(C(=O)O)[C@H]1NC(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C12H13NO4/c1-7(11(14)15)9-10(17-12(16)13-9)8-5-3-2-4-6-8/h2-7,9-10H,1H3,(H,13,16)(H,14,15)/t7?,9-,10+/m1/s1
InChIKeyOXUZLOWKUBKCJZ-MKSVKPQVSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid?
The IUPAC name of 2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid (CID 57373165) is 2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid.
What is the SMILES notation for 2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid?
The canonical SMILES for 2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid is CC(C(=O)O)[C@H]1NC(=O)O[C@H]1c1ccccc1.
What is the InChIKey of 2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid?
The InChIKey is OXUZLOWKUBKCJZ-MKSVKPQVSA-N. The full InChI is InChI=1S/C12H13NO4/c1-7(11(14)15)9-10(17-12(16)13-9)8-5-3-2-4-6-8/h2-7,9-10H,1H3,(H,13,16)(H,14,15)/t7?,9-,10+/m1/s1.
What are the key properties of 2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid?
2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid has a molecular weight of 235.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid is sourced from PubChem (CID 57373165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).