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

C12H13NO4 — CID 10037051

IUPAC(2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoic acid
SMILESO=C1N[C@@H]([C@@H](Cc2ccccc2)C(=O)O)CO1
InChIInChI=1S/C12H13NO4/c14-11(15)9(10-7-17-12(16)13-10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,16)(H,14,15)/t9-,10-/m1/s1
InChIKeyQXILQADKQDGXGY-NXEZZACHSA-N
MW235.24 g/mol
LogP1.04
Rot. Bonds4

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

(2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoic acid (PubChem CID 10037051) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoic acid
PubChem CID10037051
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name(2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoic acid
SMILESO=C1N[C@@H]([C@@H](Cc2ccccc2)C(=O)O)CO1
InChIInChI=1S/C12H13NO4/c14-11(15)9(10-7-17-12(16)13-10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,16)(H,14,15)/t9-,10-/m1/s1
InChIKeyQXILQADKQDGXGY-NXEZZACHSA-N
XLogP1.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoic acid (CID 10037051) is (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoic acid is O=C1N[C@@H]([C@@H](Cc2ccccc2)C(=O)O)CO1.
What is the InChIKey of (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoic acid?
The InChIKey is QXILQADKQDGXGY-NXEZZACHSA-N. The full InChI is InChI=1S/C12H13NO4/c14-11(15)9(10-7-17-12(16)13-10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,16)(H,14,15)/t9-,10-/m1/s1.
What are the key properties of (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoic acid?
(2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoic acid has a molecular weight of 235.24 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoic acid is sourced from PubChem (CID 10037051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).