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

C5H13N3O4S — CID 89124184

IUPAC(2S)-2-amino-4-(methylsulfamoylamino)butanoic acid
SMILESCNS(=O)(=O)NCC[C@H](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)/t4-/m0/s1
InChIKeyNCNTZHQYSOYXLY-BYPYZUCNSA-N
MW211.24 g/mol
LogP-2.16
Rot. Bonds6

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

(2S)-2-amino-4-(methylsulfamoylamino)butanoic acid (PubChem CID 89124184) has the molecular formula C5H13N3O4S and a molecular weight of 211.24 g/mol. Its IUPAC name is (2S)-2-amino-4-(methylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(methylsulfamoylamino)butanoic acid
PubChem CID89124184
Molecular FormulaC5H13N3O4S
Molecular Weight211.24 g/mol
Exact Mass211.06
IUPAC Name(2S)-2-amino-4-(methylsulfamoylamino)butanoic acid
SMILESCNS(=O)(=O)NCC[C@H](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)/t4-/m0/s1
InChIKeyNCNTZHQYSOYXLY-BYPYZUCNSA-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 (2S)-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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(methylsulfamoylamino)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(methylsulfamoylamino)butanoic acid (CID 89124184) is (2S)-2-amino-4-(methylsulfamoylamino)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(methylsulfamoylamino)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(methylsulfamoylamino)butanoic acid is CNS(=O)(=O)NCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(methylsulfamoylamino)butanoic acid?
The InChIKey is NCNTZHQYSOYXLY-BYPYZUCNSA-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)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-4-(methylsulfamoylamino)butanoic acid?
(2S)-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 (2S)-2-amino-4-(methylsulfamoylamino)butanoic acid is sourced from PubChem (CID 89124184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).