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

C8H19N3O4S — CID 174658777

IUPAC2-amino-4-[2-methylpropyl(sulfamoyl)amino]butanoic acid
SMILESCC(C)CN(CCC(N)C(=O)O)S(N)(=O)=O
InChIInChI=1S/C8H19N3O4S/c1-6(2)5-11(16(10,14)15)4-3-7(9)8(12)13/h6-7H,3-5,9H2,1-2H3,(H,12,13)(H2,10,14,15)
InChIKeyDCODBNLKTOTNON-UHFFFAOYSA-N
MW253.32 g/mol
LogP-1.05
Rot. Bonds7

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

2-amino-4-[2-methylpropyl(sulfamoyl)amino]butanoic acid (PubChem CID 174658777) has the molecular formula C8H19N3O4S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-amino-4-[2-methylpropyl(sulfamoyl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[2-methylpropyl(sulfamoyl)amino]butanoic acid
PubChem CID174658777
Molecular FormulaC8H19N3O4S
Molecular Weight253.32 g/mol
Exact Mass253.11
IUPAC Name2-amino-4-[2-methylpropyl(sulfamoyl)amino]butanoic acid
SMILESCC(C)CN(CCC(N)C(=O)O)S(N)(=O)=O
InChIInChI=1S/C8H19N3O4S/c1-6(2)5-11(16(10,14)15)4-3-7(9)8(12)13/h6-7H,3-5,9H2,1-2H3,(H,12,13)(H2,10,14,15)
InChIKeyDCODBNLKTOTNON-UHFFFAOYSA-N
XLogP-1.05
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-[di(propan-2-yl)amino]butanoic acid
CID 12833059
2-(Dimethylsulfamoylamino)-3-methylbutanoic acid
CID 24262922
2-Amino-4-(diethylamino)butanoic acid
CID 24689443
(2S)-2-Amino-4-(diethylamino)butanoic acid
CID 28169010
(2R)-2-(dimethylsulfamoylamino)-3-methylbutanoic acid
CID 28363754
(2S)-2-(dimethylsulfamoylamino)-3-methylbutanoic acid
CID 28363756
2-Amino-4-[ethyl(propyl)amino]butanoic acid
CID 63027675
(2S)-2-amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 67154518
2-Amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 67154519
(2S)-2-amino-4-[(4-methyl-1,4-diazepan-1-yl)sulfonylamino]butanoic acid
CID 67154946
(2S)-2-amino-4-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]butanoic acid
CID 70945525
2-Amino-4-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]butanoic acid
CID 70945526

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-methylpropyl(sulfamoyl)amino]butanoic acid?
The IUPAC name of 2-amino-4-[2-methylpropyl(sulfamoyl)amino]butanoic acid (CID 174658777) is 2-amino-4-[2-methylpropyl(sulfamoyl)amino]butanoic acid.
What is the SMILES notation for 2-amino-4-[2-methylpropyl(sulfamoyl)amino]butanoic acid?
The canonical SMILES for 2-amino-4-[2-methylpropyl(sulfamoyl)amino]butanoic acid is CC(C)CN(CCC(N)C(=O)O)S(N)(=O)=O.
What is the InChIKey of 2-amino-4-[2-methylpropyl(sulfamoyl)amino]butanoic acid?
The InChIKey is DCODBNLKTOTNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O4S/c1-6(2)5-11(16(10,14)15)4-3-7(9)8(12)13/h6-7H,3-5,9H2,1-2H3,(H,12,13)(H2,10,14,15).
What are the key properties of 2-amino-4-[2-methylpropyl(sulfamoyl)amino]butanoic acid?
2-amino-4-[2-methylpropyl(sulfamoyl)amino]butanoic acid has a molecular weight of 253.32 g/mol, XLogP of -1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-methylpropyl(sulfamoyl)amino]butanoic acid is sourced from PubChem (CID 174658777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).