2-[(4S)-4-acetamido-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid

C10H12N2O7 — CID 10402166

IUPAC2-[(4S)-4-acetamido-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
SMILESCC(=O)N[C@H]1CON(C2(C(=O)O)CCC(=O)O2)C1=O
InChIInChI=1S/C10H12N2O7/c1-5(13)11-6-4-18-12(8(6)15)10(9(16)17)3-2-7(14)19-10/h6H,2-4H2,1H3,(H,11,13)(H,16,17)/t6-,10?/m0/s1
InChIKeyZUEKKUYIXILDAF-UOQJWNSWSA-N
MW272.21 g/mol
LogP-1.62
Rot. Bonds3

About 2-[(4S)-4-acetamido-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid

2-[(4S)-4-acetamido-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid (PubChem CID 10402166) has the molecular formula C10H12N2O7 and a molecular weight of 272.21 g/mol. Its IUPAC name is 2-[(4S)-4-acetamido-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-[(4S)-4-acetamido-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
PubChem CID10402166
Molecular FormulaC10H12N2O7
Molecular Weight272.21 g/mol
Exact Mass272.06
IUPAC Name2-[(4S)-4-acetamido-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
SMILESCC(=O)N[C@H]1CON(C2(C(=O)O)CCC(=O)O2)C1=O
InChIInChI=1S/C10H12N2O7/c1-5(13)11-6-4-18-12(8(6)15)10(9(16)17)3-2-7(14)19-10/h6H,2-4H2,1H3,(H,11,13)(H,16,17)/t6-,10?/m0/s1
InChIKeyZUEKKUYIXILDAF-UOQJWNSWSA-N
XLogP-1.62
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-acetamido-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
The IUPAC name of 2-[(4S)-4-acetamido-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid (CID 10402166) is 2-[(4S)-4-acetamido-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid.
What is the SMILES notation for 2-[(4S)-4-acetamido-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
The canonical SMILES for 2-[(4S)-4-acetamido-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid is CC(=O)N[C@H]1CON(C2(C(=O)O)CCC(=O)O2)C1=O.
What is the InChIKey of 2-[(4S)-4-acetamido-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
The InChIKey is ZUEKKUYIXILDAF-UOQJWNSWSA-N. The full InChI is InChI=1S/C10H12N2O7/c1-5(13)11-6-4-18-12(8(6)15)10(9(16)17)3-2-7(14)19-10/h6H,2-4H2,1H3,(H,11,13)(H,16,17)/t6-,10?/m0/s1.
What are the key properties of 2-[(4S)-4-acetamido-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
2-[(4S)-4-acetamido-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid has a molecular weight of 272.21 g/mol, XLogP of -1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-acetamido-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid is sourced from PubChem (CID 10402166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).