2-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]acetic acid

C13H13NO6 — CID 688325

IUPAC2-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]acetic acid
SMILESO=C(O)C[C@H]1C(=O)OCN1C(=O)OCc1ccccc1
InChIInChI=1S/C13H13NO6/c15-11(16)6-10-12(17)20-8-14(10)13(18)19-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)/t10-/m0/s1
InChIKeyXGNNOKSIFRVHHA-JTQLQIEISA-N
MW279.25 g/mol
LogP0.98
Rot. Bonds4

About 2-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]acetic acid

2-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]acetic acid (PubChem CID 688325) has the molecular formula C13H13NO6 and a molecular weight of 279.25 g/mol. Its IUPAC name is 2-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]acetic acid
PubChem CID688325
Molecular FormulaC13H13NO6
Molecular Weight279.25 g/mol
Exact Mass279.07
IUPAC Name2-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]acetic acid
SMILESO=C(O)C[C@H]1C(=O)OCN1C(=O)OCc1ccccc1
InChIInChI=1S/C13H13NO6/c15-11(16)6-10-12(17)20-8-14(10)13(18)19-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)/t10-/m0/s1
InChIKeyXGNNOKSIFRVHHA-JTQLQIEISA-N
XLogP0.98
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]acetic acid?
The IUPAC name of 2-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]acetic acid (CID 688325) is 2-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]acetic acid is O=C(O)C[C@H]1C(=O)OCN1C(=O)OCc1ccccc1.
What is the InChIKey of 2-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]acetic acid?
The InChIKey is XGNNOKSIFRVHHA-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13NO6/c15-11(16)6-10-12(17)20-8-14(10)13(18)19-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)/t10-/m0/s1.
What are the key properties of 2-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]acetic acid?
2-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]acetic acid has a molecular weight of 279.25 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]acetic acid is sourced from PubChem (CID 688325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).