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

C10H20N2O6S — CID 63307217

IUPAC(2S)-2-[[butyl(methyl)sulfamoyl]amino]-4-methoxy-4-oxobutanoic acid
SMILESCCCCN(C)S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)O
InChIInChI=1S/C10H20N2O6S/c1-4-5-6-12(2)19(16,17)11-8(10(14)15)7-9(13)18-3/h8,11H,4-7H2,1-3H3,(H,14,15)/t8-/m0/s1
InChIKeyDWXXGIITGRBDDD-QMMMGPOBSA-N
MW296.35 g/mol
LogP-0.43
Rot. Bonds9

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

(2S)-2-[[butyl(methyl)sulfamoyl]amino]-4-methoxy-4-oxobutanoic acid (PubChem CID 63307217) has the molecular formula C10H20N2O6S and a molecular weight of 296.35 g/mol. Its IUPAC name is (2S)-2-[[butyl(methyl)sulfamoyl]amino]-4-methoxy-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-2-[[butyl(methyl)sulfamoyl]amino]-4-methoxy-4-oxobutanoic acid
PubChem CID63307217
Molecular FormulaC10H20N2O6S
Molecular Weight296.35 g/mol
Exact Mass296.10
IUPAC Name(2S)-2-[[butyl(methyl)sulfamoyl]amino]-4-methoxy-4-oxobutanoic acid
SMILESCCCCN(C)S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)O
InChIInChI=1S/C10H20N2O6S/c1-4-5-6-12(2)19(16,17)11-8(10(14)15)7-9(13)18-3/h8,11H,4-7H2,1-3H3,(H,14,15)/t8-/m0/s1
InChIKeyDWXXGIITGRBDDD-QMMMGPOBSA-N
XLogP-0.43
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-[[butyl(methyl)sulfamoyl]amino]-4-oxobutanoic acid
CID 43169485
(2S)-2-(diethylsulfamoylamino)-4-methoxy-4-oxobutanoic acid
CID 63307130
(2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid
CID 104977912
(2S)-2-(dimethylsulfamoylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 82841691
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-2-phenylacetic acid
CID 103862421
(2S)-2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63305116
2-(hexylamino)-4-methoxy-4-oxobutanoic acid
CID 71332238
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
CID 79256086
2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
CID 79256341
(2S)-2-(cyclopropylsulfonylamino)-4-methoxy-4-oxobutanoic acid
CID 64553878
(2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]hexanoic acid
CID 107145097
2-(dimethylsulfamoylamino)pentanoic acid
CID 43631196

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[butyl(methyl)sulfamoyl]amino]-4-methoxy-4-oxobutanoic acid?
The IUPAC name of (2S)-2-[[butyl(methyl)sulfamoyl]amino]-4-methoxy-4-oxobutanoic acid (CID 63307217) is (2S)-2-[[butyl(methyl)sulfamoyl]amino]-4-methoxy-4-oxobutanoic acid.
What is the SMILES notation for (2S)-2-[[butyl(methyl)sulfamoyl]amino]-4-methoxy-4-oxobutanoic acid?
The canonical SMILES for (2S)-2-[[butyl(methyl)sulfamoyl]amino]-4-methoxy-4-oxobutanoic acid is CCCCN(C)S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)O.
What is the InChIKey of (2S)-2-[[butyl(methyl)sulfamoyl]amino]-4-methoxy-4-oxobutanoic acid?
The InChIKey is DWXXGIITGRBDDD-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O6S/c1-4-5-6-12(2)19(16,17)11-8(10(14)15)7-9(13)18-3/h8,11H,4-7H2,1-3H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-[[butyl(methyl)sulfamoyl]amino]-4-methoxy-4-oxobutanoic acid?
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-4-methoxy-4-oxobutanoic acid has a molecular weight of 296.35 g/mol, XLogP of -0.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[butyl(methyl)sulfamoyl]amino]-4-methoxy-4-oxobutanoic acid is sourced from PubChem (CID 63307217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).