3-[(2-amino-2-oxoethyl)sulfamoyl]propanoic acid

C5H10N2O5S — CID 28773495

IUPAC3-[(2-amino-2-oxoethyl)sulfamoyl]propanoic acid
SMILESNC(=O)CNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C5H10N2O5S/c6-4(8)3-7-13(11,12)2-1-5(9)10/h7H,1-3H2,(H2,6,8)(H,9,10)
InChIKeyADOFVDKVYUXSBC-UHFFFAOYSA-N
MW210.21 g/mol
LogP-2.13
Rot. Bonds6

About 3-[(2-amino-2-oxoethyl)sulfamoyl]propanoic acid

3-[(2-amino-2-oxoethyl)sulfamoyl]propanoic acid (PubChem CID 28773495) has the molecular formula C5H10N2O5S and a molecular weight of 210.21 g/mol. Its IUPAC name is 3-[(2-amino-2-oxoethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-oxoethyl)sulfamoyl]propanoic acid
PubChem CID28773495
Molecular FormulaC5H10N2O5S
Molecular Weight210.21 g/mol
Exact Mass210.03
IUPAC Name3-[(2-amino-2-oxoethyl)sulfamoyl]propanoic acid
SMILESNC(=O)CNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C5H10N2O5S/c6-4(8)3-7-13(11,12)2-1-5(9)10/h7H,1-3H2,(H2,6,8)(H,9,10)
InChIKeyADOFVDKVYUXSBC-UHFFFAOYSA-N
XLogP-2.13
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 5-2.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(2-amino-2-oxoethyl)sulfamoyl]propanoic 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 3-[(2-amino-2-oxoethyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(2-amino-2-oxoethyl)sulfamoyl]propanoic acid (CID 28773495) is 3-[(2-amino-2-oxoethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(2-amino-2-oxoethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(2-amino-2-oxoethyl)sulfamoyl]propanoic acid is NC(=O)CNS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[(2-amino-2-oxoethyl)sulfamoyl]propanoic acid?
The InChIKey is ADOFVDKVYUXSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O5S/c6-4(8)3-7-13(11,12)2-1-5(9)10/h7H,1-3H2,(H2,6,8)(H,9,10).
What are the key properties of 3-[(2-amino-2-oxoethyl)sulfamoyl]propanoic acid?
3-[(2-amino-2-oxoethyl)sulfamoyl]propanoic acid has a molecular weight of 210.21 g/mol, XLogP of -2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-oxoethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 28773495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).