2-amino-4-(methylsulfamoylamino)butanoic acid

C5H13N3O4S — CID 89124186

IUPAC2-amino-4-(methylsulfamoylamino)butanoic acid
SMILESCNS(=O)(=O)NCCC(N)C(=O)O
InChIInChI=1S/C5H13N3O4S/c1-7-13(11,12)8-3-2-4(6)5(9)10/h4,7-8H,2-3,6H2,1H3,(H,9,10)
InChIKeyNCNTZHQYSOYXLY-UHFFFAOYSA-N
MW211.24 g/mol
LogP-2.16
Rot. Bonds6

About 2-amino-4-(methylsulfamoylamino)butanoic acid

2-amino-4-(methylsulfamoylamino)butanoic acid (PubChem CID 89124186) has the molecular formula C5H13N3O4S and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-amino-4-(methylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(methylsulfamoylamino)butanoic acid
PubChem CID89124186
Molecular FormulaC5H13N3O4S
Molecular Weight211.24 g/mol
Exact Mass211.06
IUPAC Name2-amino-4-(methylsulfamoylamino)butanoic acid
SMILESCNS(=O)(=O)NCCC(N)C(=O)O
InChIInChI=1S/C5H13N3O4S/c1-7-13(11,12)8-3-2-4(6)5(9)10/h4,7-8H,2-3,6H2,1H3,(H,9,10)
InChIKeyNCNTZHQYSOYXLY-UHFFFAOYSA-N
XLogP-2.16
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 5-2.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-(methylsulfamoylamino)butanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2,4-Diaminobutyric acid
CID 470
L-2,4-Diaminobutyric acid
CID 134490
2,4-Diaminobutyric acid, D-
CID 638153
2,4-Diaminobutanoic acid hydrochloride
CID 12430454
(2~{S})-3-methyl-2-(sulfamoylamino)butanoic acid
CID 28207331
(2R)-3-methyl-2-(sulfamoylamino)butanoic acid
CID 28207329
(s)-2,4-Diaminobutanoic acid hydrochloride
CID 16211440
(2S)-2-amino-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 89123541
2-Amino-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 89123542
(3S)-3-Amino-3-carboxypropan-1-aminium
CID 138398292
(S)-2,4-Diaminobutanoic acid hydrobromide
CID 46735201
(2S)-2,4-diamino(411C)butanoic acid
CID 449917

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(methylsulfamoylamino)butanoic acid?
The IUPAC name of 2-amino-4-(methylsulfamoylamino)butanoic acid (CID 89124186) is 2-amino-4-(methylsulfamoylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(methylsulfamoylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(methylsulfamoylamino)butanoic acid is CNS(=O)(=O)NCCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-(methylsulfamoylamino)butanoic acid?
The InChIKey is NCNTZHQYSOYXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O4S/c1-7-13(11,12)8-3-2-4(6)5(9)10/h4,7-8H,2-3,6H2,1H3,(H,9,10).
What are the key properties of 2-amino-4-(methylsulfamoylamino)butanoic acid?
2-amino-4-(methylsulfamoylamino)butanoic acid has a molecular weight of 211.24 g/mol, XLogP of -2.16, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(methylsulfamoylamino)butanoic acid is sourced from PubChem (CID 89124186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).