2-amino-4-[methyl(sulfamoyl)amino]butanoic acid

C5H13N3O4S — CID 174670396

IUPAC2-amino-4-[methyl(sulfamoyl)amino]butanoic acid
SMILESCN(CCC(N)C(=O)O)S(N)(=O)=O
InChIInChI=1S/C5H13N3O4S/c1-8(13(7,11)12)3-2-4(6)5(9)10/h4H,2-3,6H2,1H3,(H,9,10)(H2,7,11,12)
InChIKeyDSJGZPOFIAWLET-UHFFFAOYSA-N
MW211.24 g/mol
LogP-2.08
Rot. Bonds5

About 2-amino-4-[methyl(sulfamoyl)amino]butanoic acid

2-amino-4-[methyl(sulfamoyl)amino]butanoic acid (PubChem CID 174670396) has the molecular formula C5H13N3O4S and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-amino-4-[methyl(sulfamoyl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[methyl(sulfamoyl)amino]butanoic acid
PubChem CID174670396
Molecular FormulaC5H13N3O4S
Molecular Weight211.24 g/mol
Exact Mass211.06
IUPAC Name2-amino-4-[methyl(sulfamoyl)amino]butanoic acid
SMILESCN(CCC(N)C(=O)O)S(N)(=O)=O
InChIInChI=1S/C5H13N3O4S/c1-8(13(7,11)12)3-2-4(6)5(9)10/h4H,2-3,6H2,1H3,(H,9,10)(H2,7,11,12)
InChIKeyDSJGZPOFIAWLET-UHFFFAOYSA-N
XLogP-2.08
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-(methylamino)butanoic acid
CID 21295102
(S)-2-Amino-4-(dimethylamino)butanoic acid
CID 28175923
(2S)-2-amino-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 89123541
2-Amino-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 89123542
2-Amino-4-[sulfamoyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 123398581
(2S)-2-amino-4-[sulfamoyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 144190614
N-dimethylammoniocarboxypropyl-perfluoromethane sulfonamide
CID 138395173
2-Amino-4-(dimethylamino)butanoic acid
CID 13040926
2-Amino-4-[carboxymethyl(methyl)amino]butanoic acid
CID 14354103
2-Amino-4-(ethylamino)butanoic acid
CID 17684447
2-(Dimethylsulfamoylamino)propanoic acid
CID 24262836
(2R)-2-Amino-4-(dimethylamino)butanoic acid
CID 28175920

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[methyl(sulfamoyl)amino]butanoic acid?
The IUPAC name of 2-amino-4-[methyl(sulfamoyl)amino]butanoic acid (CID 174670396) is 2-amino-4-[methyl(sulfamoyl)amino]butanoic acid.
What is the SMILES notation for 2-amino-4-[methyl(sulfamoyl)amino]butanoic acid?
The canonical SMILES for 2-amino-4-[methyl(sulfamoyl)amino]butanoic acid is CN(CCC(N)C(=O)O)S(N)(=O)=O.
What is the InChIKey of 2-amino-4-[methyl(sulfamoyl)amino]butanoic acid?
The InChIKey is DSJGZPOFIAWLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O4S/c1-8(13(7,11)12)3-2-4(6)5(9)10/h4H,2-3,6H2,1H3,(H,9,10)(H2,7,11,12).
What are the key properties of 2-amino-4-[methyl(sulfamoyl)amino]butanoic acid?
2-amino-4-[methyl(sulfamoyl)amino]butanoic acid has a molecular weight of 211.24 g/mol, XLogP of -2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[methyl(sulfamoyl)amino]butanoic acid is sourced from PubChem (CID 174670396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).