4-amino-2-(methanesulfonamido)-4-oxobutanoic acid

C5H10N2O5S — CID 16770350

IUPAC4-amino-2-(methanesulfonamido)-4-oxobutanoic acid
SMILESCS(=O)(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C5H10N2O5S/c1-13(11,12)7-3(5(9)10)2-4(6)8/h3,7H,2H2,1H3,(H2,6,8)(H,9,10)
InChIKeyNMVBRLONLDQMGV-UHFFFAOYSA-N
MW210.21 g/mol
LogP-2.14
Rot. Bonds5

About 4-amino-2-(methanesulfonamido)-4-oxobutanoic acid

4-amino-2-(methanesulfonamido)-4-oxobutanoic acid (PubChem CID 16770350) has the molecular formula C5H10N2O5S and a molecular weight of 210.21 g/mol. Its IUPAC name is 4-amino-2-(methanesulfonamido)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-(methanesulfonamido)-4-oxobutanoic acid
PubChem CID16770350
Molecular FormulaC5H10N2O5S
Molecular Weight210.21 g/mol
Exact Mass210.03
IUPAC Name4-amino-2-(methanesulfonamido)-4-oxobutanoic acid
SMILESCS(=O)(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C5H10N2O5S/c1-13(11,12)7-3(5(9)10)2-4(6)8/h3,7H,2H2,1H3,(H2,6,8)(H,9,10)
InChIKeyNMVBRLONLDQMGV-UHFFFAOYSA-N
XLogP-2.14
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(methanesulfonamido)-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-(methanesulfonamido)-4-oxobutanoic acid (CID 16770350) is 4-amino-2-(methanesulfonamido)-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-(methanesulfonamido)-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-(methanesulfonamido)-4-oxobutanoic acid is CS(=O)(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-(methanesulfonamido)-4-oxobutanoic acid?
The InChIKey is NMVBRLONLDQMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O5S/c1-13(11,12)7-3(5(9)10)2-4(6)8/h3,7H,2H2,1H3,(H2,6,8)(H,9,10).
What are the key properties of 4-amino-2-(methanesulfonamido)-4-oxobutanoic acid?
4-amino-2-(methanesulfonamido)-4-oxobutanoic acid has a molecular weight of 210.21 g/mol, XLogP of -2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(methanesulfonamido)-4-oxobutanoic acid is sourced from PubChem (CID 16770350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).