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

C11H16N4O9S — CID 14096178

IUPAC2-[(4S)-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)N[C@H]1CON(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)/t5?,6-,11?/m0/s1
InChIKeySQSZYJOZIJFNAV-JWVSFMQHSA-N
MW380.34 g/mol
LogP-4.02
Rot. Bonds6

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

2-[(4S)-4-[(2-amino-3-sulfamoylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid (PubChem CID 14096178) has the molecular formula C11H16N4O9S and a molecular weight of 380.34 g/mol. Its IUPAC name is 2-[(4S)-4-[(2-amino-3-sulfamoylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-[(4S)-4-[(2-amino-3-sulfamoylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
PubChem CID14096178
Molecular FormulaC11H16N4O9S
Molecular Weight380.34 g/mol
Exact Mass380.06
IUPAC Name2-[(4S)-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)N[C@H]1CON(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)/t5?,6-,11?/m0/s1
InChIKeySQSZYJOZIJFNAV-JWVSFMQHSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-[(2-amino-3-sulfamoylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
The IUPAC name of 2-[(4S)-4-[(2-amino-3-sulfamoylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid (CID 14096178) is 2-[(4S)-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-[(4S)-4-[(2-amino-3-sulfamoylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
The canonical SMILES for 2-[(4S)-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)N[C@H]1CON(C2(C(=O)O)CCC(=O)O2)C1=O.
What is the InChIKey of 2-[(4S)-4-[(2-amino-3-sulfamoylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
The InChIKey is SQSZYJOZIJFNAV-JWVSFMQHSA-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)/t5?,6-,11?/m0/s1.
What are the key properties of 2-[(4S)-4-[(2-amino-3-sulfamoylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
2-[(4S)-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-[(4S)-4-[(2-amino-3-sulfamoylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid is sourced from PubChem (CID 14096178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).