(2S)-2-amino-4-[propan-2-yl(sulfamoyl)amino]butanoic acid

C7H17N3O4S — CID 174670403

IUPAC(2S)-2-amino-4-[propan-2-yl(sulfamoyl)amino]butanoic acid
SMILESCC(C)N(CC[C@H](N)C(=O)O)S(N)(=O)=O
InChIInChI=1S/C7H17N3O4S/c1-5(2)10(15(9,13)14)4-3-6(8)7(11)12/h5-6H,3-4,8H2,1-2H3,(H,11,12)(H2,9,13,14)/t6-/m0/s1
InChIKeyQZIAGKOSZPQCQW-LURJTMIESA-N
MW239.30 g/mol
LogP-1.30
Rot. Bonds6

About (2S)-2-amino-4-[propan-2-yl(sulfamoyl)amino]butanoic acid

(2S)-2-amino-4-[propan-2-yl(sulfamoyl)amino]butanoic acid (PubChem CID 174670403) has the molecular formula C7H17N3O4S and a molecular weight of 239.30 g/mol. Its IUPAC name is (2S)-2-amino-4-[propan-2-yl(sulfamoyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[propan-2-yl(sulfamoyl)amino]butanoic acid
PubChem CID174670403
Molecular FormulaC7H17N3O4S
Molecular Weight239.30 g/mol
Exact Mass239.09
IUPAC Name(2S)-2-amino-4-[propan-2-yl(sulfamoyl)amino]butanoic acid
SMILESCC(C)N(CC[C@H](N)C(=O)O)S(N)(=O)=O
InChIInChI=1S/C7H17N3O4S/c1-5(2)10(15(9,13)14)4-3-6(8)7(11)12/h5-6H,3-4,8H2,1-2H3,(H,11,12)(H2,9,13,14)/t6-/m0/s1
InChIKeyQZIAGKOSZPQCQW-LURJTMIESA-N
XLogP-1.30
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-4-[propan-2-yl(sulfamoyl)amino]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

Carboxynorspermidine
CID 70678631
2-Amino-4-(3-aminopropylamino)butanoic acid
CID 44229223
(2S)-2-amino-4-(4-aminobutylamino)butyric acid
CID 70678731
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
2-Amino-4-[di(propan-2-yl)amino]butanoic acid
CID 12833059
2-Amino-4-[carboxymethyl(methyl)amino]butanoic acid
CID 14354103
2-Amino-4-(ethylamino)butanoic acid
CID 17684447
2-Amino-4-(propan-2-ylamino)butanoic acid
CID 18343480
2-Amino-4-(diethylamino)butanoic acid
CID 24689443
(2S)-2-Amino-4-(diethylamino)butanoic acid
CID 28169010
(2R)-2-amino-4-(ethylamino)butanoic acid
CID 44891253

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[propan-2-yl(sulfamoyl)amino]butanoic acid?
The IUPAC name of (2S)-2-amino-4-[propan-2-yl(sulfamoyl)amino]butanoic acid (CID 174670403) is (2S)-2-amino-4-[propan-2-yl(sulfamoyl)amino]butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[propan-2-yl(sulfamoyl)amino]butanoic acid?
The canonical SMILES for (2S)-2-amino-4-[propan-2-yl(sulfamoyl)amino]butanoic acid is CC(C)N(CC[C@H](N)C(=O)O)S(N)(=O)=O.
What is the InChIKey of (2S)-2-amino-4-[propan-2-yl(sulfamoyl)amino]butanoic acid?
The InChIKey is QZIAGKOSZPQCQW-LURJTMIESA-N. The full InChI is InChI=1S/C7H17N3O4S/c1-5(2)10(15(9,13)14)4-3-6(8)7(11)12/h5-6H,3-4,8H2,1-2H3,(H,11,12)(H2,9,13,14)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-4-[propan-2-yl(sulfamoyl)amino]butanoic acid?
(2S)-2-amino-4-[propan-2-yl(sulfamoyl)amino]butanoic acid has a molecular weight of 239.30 g/mol, XLogP of -1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[propan-2-yl(sulfamoyl)amino]butanoic acid is sourced from PubChem (CID 174670403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).