(2S)-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanoic acid

C10H22N2O4S — CID 54947569

IUPAC(2S)-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanoic acid
SMILESCCC(C)[C@H](NS(=O)(=O)N(C)C(C)C)C(=O)O
InChIInChI=1S/C10H22N2O4S/c1-6-8(4)9(10(13)14)11-17(15,16)12(5)7(2)3/h7-9,11H,6H2,1-5H3,(H,13,14)/t8?,9-/m0/s1
InChIKeyADSZENVRHZILDE-GKAPJAKFSA-N
MW266.36 g/mol
LogP0.66
Rot. Bonds7

About (2S)-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanoic acid

(2S)-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanoic acid (PubChem CID 54947569) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is (2S)-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanoic acid
PubChem CID54947569
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name(2S)-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanoic acid
SMILESCCC(C)[C@H](NS(=O)(=O)N(C)C(C)C)C(=O)O
InChIInChI=1S/C10H22N2O4S/c1-6-8(4)9(10(13)14)11-17(15,16)12(5)7(2)3/h7-9,11H,6H2,1-5H3,(H,13,14)/t8?,9-/m0/s1
InChIKeyADSZENVRHZILDE-GKAPJAKFSA-N
XLogP0.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 61455877
2-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methylpentanoic acid
CID 43172836
(2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977898
(2S)-2-(difluoromethylsulfonylamino)-3-methylpentanoic acid
CID 61173996
(2S,3S)-2-(difluoromethylsulfonylamino)-3-methylpentanoic acid
CID 28606784
(2S,3S)-3-methyl-2-(2-methylpropylsulfamoylamino)pentanoic acid
CID 104978587
2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-methylpentanoic acid
CID 61359142
(2R)-1-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 103918549
(2R)-4-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 104933802
2-(cyclopentylsulfonylamino)-3-methylpentanoic acid
CID 105360683
(2S,3S)-2-(azetidin-1-ylsulfonylamino)-3-methylpentanoic acid
CID 122069875
(2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid
CID 28784129

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanoic acid?
The IUPAC name of (2S)-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanoic acid (CID 54947569) is (2S)-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanoic acid is CCC(C)[C@H](NS(=O)(=O)N(C)C(C)C)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanoic acid?
The InChIKey is ADSZENVRHZILDE-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-6-8(4)9(10(13)14)11-17(15,16)12(5)7(2)3/h7-9,11H,6H2,1-5H3,(H,13,14)/t8?,9-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanoic acid?
(2S)-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanoic acid is sourced from PubChem (CID 54947569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).