(2S,3S)-3-methyl-2-(2-methylpropylsulfamoylamino)pentanoic acid

C10H22N2O4S — CID 104978587

IUPAC(2S,3S)-3-methyl-2-(2-methylpropylsulfamoylamino)pentanoic acid
SMILESCC[C@H](C)[C@H](NS(=O)(=O)NCC(C)C)C(=O)O
InChIInChI=1S/C10H22N2O4S/c1-5-8(4)9(10(13)14)12-17(15,16)11-6-7(2)3/h7-9,11-12H,5-6H2,1-4H3,(H,13,14)/t8-,9-/m0/s1
InChIKeyBGBACZUCZMNRSQ-IUCAKERBSA-N
MW266.36 g/mol
LogP0.57
Rot. Bonds8

About (2S,3S)-3-methyl-2-(2-methylpropylsulfamoylamino)pentanoic acid

(2S,3S)-3-methyl-2-(2-methylpropylsulfamoylamino)pentanoic acid (PubChem CID 104978587) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-(2-methylpropylsulfamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-(2-methylpropylsulfamoylamino)pentanoic acid
PubChem CID104978587
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name(2S,3S)-3-methyl-2-(2-methylpropylsulfamoylamino)pentanoic acid
SMILESCC[C@H](C)[C@H](NS(=O)(=O)NCC(C)C)C(=O)O
InChIInChI=1S/C10H22N2O4S/c1-5-8(4)9(10(13)14)12-17(15,16)11-6-7(2)3/h7-9,11-12H,5-6H2,1-4H3,(H,13,14)/t8-,9-/m0/s1
InChIKeyBGBACZUCZMNRSQ-IUCAKERBSA-N
XLogP0.57
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977898
N-(2-methylpropylsulfamoyl)butan-2-amine
CID 114814896
(2S)-2-(difluoromethylsulfonylamino)-3-methylpentanoic acid
CID 61173996
(2S,3S)-2-(difluoromethylsulfonylamino)-3-methylpentanoic acid
CID 28606784
(2S)-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanoic acid
CID 54947569
2-[(3,5-dimethylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 60641481
(2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic acid
CID 40607627
2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-methylpentanoic acid
CID 61359142
(2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid
CID 104977826
(2S,3S)-2-(azetidin-1-ylsulfonylamino)-3-methylpentanoic acid
CID 122069875
(2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid
CID 28784129
2-(cyclopentylsulfonylamino)-3-methylpentanoic acid
CID 105360683

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-(2-methylpropylsulfamoylamino)pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-(2-methylpropylsulfamoylamino)pentanoic acid (CID 104978587) is (2S,3S)-3-methyl-2-(2-methylpropylsulfamoylamino)pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-(2-methylpropylsulfamoylamino)pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-(2-methylpropylsulfamoylamino)pentanoic acid is CC[C@H](C)[C@H](NS(=O)(=O)NCC(C)C)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-(2-methylpropylsulfamoylamino)pentanoic acid?
The InChIKey is BGBACZUCZMNRSQ-IUCAKERBSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-5-8(4)9(10(13)14)12-17(15,16)11-6-7(2)3/h7-9,11-12H,5-6H2,1-4H3,(H,13,14)/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-(2-methylpropylsulfamoylamino)pentanoic acid?
(2S,3S)-3-methyl-2-(2-methylpropylsulfamoylamino)pentanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.57, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-(2-methylpropylsulfamoylamino)pentanoic acid is sourced from PubChem (CID 104978587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).