4-amino-2-[[butyl(methyl)sulfamoyl]amino]-4-oxobutanoic acid

C9H19N3O5S — CID 43169485

IUPAC4-amino-2-[[butyl(methyl)sulfamoyl]amino]-4-oxobutanoic acid
SMILESCCCCN(C)S(=O)(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C9H19N3O5S/c1-3-4-5-12(2)18(16,17)11-7(9(14)15)6-8(10)13/h7,11H,3-6H2,1-2H3,(H2,10,13)(H,14,15)
InChIKeyNWRXEGFDMWFPHZ-UHFFFAOYSA-N
MW281.33 g/mol
LogP-1.12
Rot. Bonds9

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

4-amino-2-[[butyl(methyl)sulfamoyl]amino]-4-oxobutanoic acid (PubChem CID 43169485) has the molecular formula C9H19N3O5S and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-amino-2-[[butyl(methyl)sulfamoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[[butyl(methyl)sulfamoyl]amino]-4-oxobutanoic acid
PubChem CID43169485
Molecular FormulaC9H19N3O5S
Molecular Weight281.33 g/mol
Exact Mass281.10
IUPAC Name4-amino-2-[[butyl(methyl)sulfamoyl]amino]-4-oxobutanoic acid
SMILESCCCCN(C)S(=O)(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C9H19N3O5S/c1-3-4-5-12(2)18(16,17)11-7(9(14)15)6-8(10)13/h7,11H,3-6H2,1-2H3,(H2,10,13)(H,14,15)
InChIKeyNWRXEGFDMWFPHZ-UHFFFAOYSA-N
XLogP-1.12
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[butyl(methyl)sulfamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307217
(2R)-4-amino-2-[[methyl(pentyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826113
(2R)-4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107825753
4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61186230
4-amino-2-[[methyl(pentyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61198911
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-2-phenylacetic acid
CID 103862421
(2S)-4-amino-4-oxo-2-(propan-2-ylsulfonylamino)butanoic acid
CID 63715580
(2S)-4-amino-4-oxo-2-(pentylamino)butanoic acid
CID 87646492
2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
CID 79256341
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
CID 79256086
(2S)-4-amino-2-[[butyl(cyclopropyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63717551
(2R)-4-amino-2-[[butyl(cyclopropyl)carbamoyl]amino]-4-oxobutanoic acid
CID 114005491

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[butyl(methyl)sulfamoyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[[butyl(methyl)sulfamoyl]amino]-4-oxobutanoic acid (CID 43169485) is 4-amino-2-[[butyl(methyl)sulfamoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[[butyl(methyl)sulfamoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[[butyl(methyl)sulfamoyl]amino]-4-oxobutanoic acid is CCCCN(C)S(=O)(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-[[butyl(methyl)sulfamoyl]amino]-4-oxobutanoic acid?
The InChIKey is NWRXEGFDMWFPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O5S/c1-3-4-5-12(2)18(16,17)11-7(9(14)15)6-8(10)13/h7,11H,3-6H2,1-2H3,(H2,10,13)(H,14,15).
What are the key properties of 4-amino-2-[[butyl(methyl)sulfamoyl]amino]-4-oxobutanoic acid?
4-amino-2-[[butyl(methyl)sulfamoyl]amino]-4-oxobutanoic acid has a molecular weight of 281.33 g/mol, XLogP of -1.12, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[butyl(methyl)sulfamoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 43169485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).