3-[(1-amino-2-methyl-1-oxobutan-2-yl)sulfamoyl-methylamino]propanoic acid

C9H19N3O5S — CID 112737995

IUPAC3-[(1-amino-2-methyl-1-oxobutan-2-yl)sulfamoyl-methylamino]propanoic acid
SMILESCCC(C)(NS(=O)(=O)N(C)CCC(=O)O)C(N)=O
InChIInChI=1S/C9H19N3O5S/c1-4-9(2,8(10)15)11-18(16,17)12(3)6-5-7(13)14/h11H,4-6H2,1-3H3,(H2,10,15)(H,13,14)
InChIKeyHZMKAADVVNGZNI-UHFFFAOYSA-N
MW281.33 g/mol
LogP-1.12
Rot. Bonds8

About 3-[(1-amino-2-methyl-1-oxobutan-2-yl)sulfamoyl-methylamino]propanoic acid

3-[(1-amino-2-methyl-1-oxobutan-2-yl)sulfamoyl-methylamino]propanoic acid (PubChem CID 112737995) has the molecular formula C9H19N3O5S and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-[(1-amino-2-methyl-1-oxobutan-2-yl)sulfamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(1-amino-2-methyl-1-oxobutan-2-yl)sulfamoyl-methylamino]propanoic acid
PubChem CID112737995
Molecular FormulaC9H19N3O5S
Molecular Weight281.33 g/mol
Exact Mass281.10
IUPAC Name3-[(1-amino-2-methyl-1-oxobutan-2-yl)sulfamoyl-methylamino]propanoic acid
SMILESCCC(C)(NS(=O)(=O)N(C)CCC(=O)O)C(N)=O
InChIInChI=1S/C9H19N3O5S/c1-4-9(2,8(10)15)11-18(16,17)12(3)6-5-7(13)14/h11H,4-6H2,1-3H3,(H2,10,15)(H,13,14)
InChIKeyHZMKAADVVNGZNI-UHFFFAOYSA-N
XLogP-1.12
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
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

3-[ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid
CID 114462274
3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoic acid
CID 115358309
2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 79793406
3-[methyl(2,3,3-trimethylbutylsulfamoyl)amino]propanoic acid
CID 83142369
3-[tert-butylsulfamoyl(ethyl)amino]propanoic acid
CID 114805730
3-[methyl(pyrrol-1-ylsulfamoyl)amino]propanoic acid
CID 79091046
3-[(2-hydroxy-4-methoxy-2-methylbutyl)sulfamoyl-methylamino]propanoic acid
CID 106252638
3-[methyl-[2-(methylsulfamoyl)ethylsulfamoyl]amino]propanoic acid
CID 114174999
3-[2-(dimethylcarbamoylamino)ethylsulfamoyl-methylamino]propanoic acid
CID 83115936
3-[2,2-dimethoxyethylsulfamoyl(methyl)amino]propanoic acid
CID 79548328
4-[[butyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361166
3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid
CID 102695739

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-2-methyl-1-oxobutan-2-yl)sulfamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[(1-amino-2-methyl-1-oxobutan-2-yl)sulfamoyl-methylamino]propanoic acid (CID 112737995) is 3-[(1-amino-2-methyl-1-oxobutan-2-yl)sulfamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[(1-amino-2-methyl-1-oxobutan-2-yl)sulfamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[(1-amino-2-methyl-1-oxobutan-2-yl)sulfamoyl-methylamino]propanoic acid is CCC(C)(NS(=O)(=O)N(C)CCC(=O)O)C(N)=O.
What is the InChIKey of 3-[(1-amino-2-methyl-1-oxobutan-2-yl)sulfamoyl-methylamino]propanoic acid?
The InChIKey is HZMKAADVVNGZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O5S/c1-4-9(2,8(10)15)11-18(16,17)12(3)6-5-7(13)14/h11H,4-6H2,1-3H3,(H2,10,15)(H,13,14).
What are the key properties of 3-[(1-amino-2-methyl-1-oxobutan-2-yl)sulfamoyl-methylamino]propanoic acid?
3-[(1-amino-2-methyl-1-oxobutan-2-yl)sulfamoyl-methylamino]propanoic acid has a molecular weight of 281.33 g/mol, XLogP of -1.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2-methyl-1-oxobutan-2-yl)sulfamoyl-methylamino]propanoic acid is sourced from PubChem (CID 112737995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).