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

C11H16N4O9S — CID 14096177

IUPAC2-[4-[(2-amino-3-sulfamoylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
SMILESNC(CS(N)(=O)=O)C(=O)NC1CON(C2(C(=O)O)CCC(=O)O2)C1=O
InChIInChI=1S/C11H16N4O9S/c12-5(4-25(13,21)22)8(17)14-6-3-23-15(9(6)18)11(10(19)20)2-1-7(16)24-11/h5-6H,1-4,12H2,(H,14,17)(H,19,20)(H2,13,21,22)
InChIKeySQSZYJOZIJFNAV-UHFFFAOYSA-N
MW380.34 g/mol
LogP-4.02
Rot. Bonds6

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

2-[4-[(2-amino-3-sulfamoylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid (PubChem CID 14096177) has the molecular formula C11H16N4O9S and a molecular weight of 380.34 g/mol. Its IUPAC name is 2-[4-[(2-amino-3-sulfamoylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-[4-[(2-amino-3-sulfamoylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
PubChem CID14096177
Molecular FormulaC11H16N4O9S
Molecular Weight380.34 g/mol
Exact Mass380.06
IUPAC Name2-[4-[(2-amino-3-sulfamoylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
SMILESNC(CS(N)(=O)=O)C(=O)NC1CON(C2(C(=O)O)CCC(=O)O2)C1=O
InChIInChI=1S/C11H16N4O9S/c12-5(4-25(13,21)22)8(17)14-6-3-23-15(9(6)18)11(10(19)20)2-1-7(16)24-11/h5-6H,1-4,12H2,(H,14,17)(H,19,20)(H2,13,21,22)
InChIKeySQSZYJOZIJFNAV-UHFFFAOYSA-N
XLogP-4.02
TPSA208.42 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 5-4.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-3-sulfamoylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
The IUPAC name of 2-[4-[(2-amino-3-sulfamoylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid (CID 14096177) is 2-[4-[(2-amino-3-sulfamoylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid.
What is the SMILES notation for 2-[4-[(2-amino-3-sulfamoylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
The canonical SMILES for 2-[4-[(2-amino-3-sulfamoylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid is NC(CS(N)(=O)=O)C(=O)NC1CON(C2(C(=O)O)CCC(=O)O2)C1=O.
What is the InChIKey of 2-[4-[(2-amino-3-sulfamoylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
The InChIKey is SQSZYJOZIJFNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O9S/c12-5(4-25(13,21)22)8(17)14-6-3-23-15(9(6)18)11(10(19)20)2-1-7(16)24-11/h5-6H,1-4,12H2,(H,14,17)(H,19,20)(H2,13,21,22).
What are the key properties of 2-[4-[(2-amino-3-sulfamoylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
2-[4-[(2-amino-3-sulfamoylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid has a molecular weight of 380.34 g/mol, XLogP of -4.02, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-3-sulfamoylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid is sourced from PubChem (CID 14096177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).