2-(4-formamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylic acid

C9H10N2O7 — CID 14095798

IUPAC2-(4-formamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylic acid
SMILESO=CNC1CON(C2(C(=O)O)CCC(=O)O2)C1=O
InChIInChI=1S/C9H10N2O7/c12-4-10-5-3-17-11(7(5)14)9(8(15)16)2-1-6(13)18-9/h4-5H,1-3H2,(H,10,12)(H,15,16)
InChIKeyDVOPSPKJDDOWME-UHFFFAOYSA-N
MW258.19 g/mol
LogP-2.01
Rot. Bonds4

About 2-(4-formamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylic acid

2-(4-formamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylic acid (PubChem CID 14095798) has the molecular formula C9H10N2O7 and a molecular weight of 258.19 g/mol. Its IUPAC name is 2-(4-formamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-(4-formamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylic acid
PubChem CID14095798
Molecular FormulaC9H10N2O7
Molecular Weight258.19 g/mol
Exact Mass258.05
IUPAC Name2-(4-formamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylic acid
SMILESO=CNC1CON(C2(C(=O)O)CCC(=O)O2)C1=O
InChIInChI=1S/C9H10N2O7/c12-4-10-5-3-17-11(7(5)14)9(8(15)16)2-1-6(13)18-9/h4-5H,1-3H2,(H,10,12)(H,15,16)
InChIKeyDVOPSPKJDDOWME-UHFFFAOYSA-N
XLogP-2.01
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 5-2.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-formamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylic acid?
The IUPAC name of 2-(4-formamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylic acid (CID 14095798) is 2-(4-formamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylic acid.
What is the SMILES notation for 2-(4-formamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylic acid?
The canonical SMILES for 2-(4-formamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylic acid is O=CNC1CON(C2(C(=O)O)CCC(=O)O2)C1=O.
What is the InChIKey of 2-(4-formamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylic acid?
The InChIKey is DVOPSPKJDDOWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O7/c12-4-10-5-3-17-11(7(5)14)9(8(15)16)2-1-6(13)18-9/h4-5H,1-3H2,(H,10,12)(H,15,16).
What are the key properties of 2-(4-formamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylic acid?
2-(4-formamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylic acid has a molecular weight of 258.19 g/mol, XLogP of -2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylic acid is sourced from PubChem (CID 14095798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).