(2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid

C9H20N2O4S — CID 104977898

IUPAC(2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
SMILESCCC(C)[C@H](NS(=O)(=O)NC(C)C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-5-7(4)8(9(12)13)11-16(14,15)10-6(2)3/h6-8,10-11H,5H2,1-4H3,(H,12,13)/t7?,8-/m0/s1
InChIKeyUPCWOJXPCUEPSW-MQWKRIRWSA-N
MW252.34 g/mol
LogP0.32
Rot. Bonds7

About (2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid

(2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid (PubChem CID 104977898) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is (2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
PubChem CID104977898
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name(2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
SMILESCCC(C)[C@H](NS(=O)(=O)NC(C)C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-5-7(4)8(9(12)13)11-16(14,15)10-6(2)3/h6-8,10-11H,5H2,1-4H3,(H,12,13)/t7?,8-/m0/s1
InChIKeyUPCWOJXPCUEPSW-MQWKRIRWSA-N
XLogP0.32
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-methyl-2-(2-methylpropylsulfamoylamino)pentanoic acid
CID 104978587
(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
(2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid
CID 28784129
2-(cyclopentylsulfonylamino)-3-methylpentanoic acid
CID 105360683
(2S,3S)-2-(azetidin-1-ylsulfonylamino)-3-methylpentanoic acid
CID 122069875
2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-methylpentanoic acid
CID 61359142
(2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid
CID 61173835
2-[(3,5-dimethylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 60641481
(2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977908
(2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 107260702

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid?
The IUPAC name of (2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid (CID 104977898) is (2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid?
The canonical SMILES for (2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid is CCC(C)[C@H](NS(=O)(=O)NC(C)C)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid?
The InChIKey is UPCWOJXPCUEPSW-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-5-7(4)8(9(12)13)11-16(14,15)10-6(2)3/h6-8,10-11H,5H2,1-4H3,(H,12,13)/t7?,8-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid?
(2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid has a molecular weight of 252.34 g/mol, XLogP of 0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid is sourced from PubChem (CID 104977898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).