2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-methylpentanoic acid

C9H17NO6S — CID 61359142

IUPAC2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-methylpentanoic acid
SMILESCCC(C)C(NS(=O)(=O)CC(=O)OC)C(=O)O
InChIInChI=1S/C9H17NO6S/c1-4-6(2)8(9(12)13)10-17(14,15)5-7(11)16-3/h6,8,10H,4-5H2,1-3H3,(H,12,13)
InChIKeyGHMWAWRRXSMSTL-UHFFFAOYSA-N
MW267.30 g/mol
LogP-0.42
Rot. Bonds7

About 2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-methylpentanoic acid

2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-methylpentanoic acid (PubChem CID 61359142) has the molecular formula C9H17NO6S and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-methylpentanoic acid
PubChem CID61359142
Molecular FormulaC9H17NO6S
Molecular Weight267.30 g/mol
Exact Mass267.08
IUPAC Name2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-methylpentanoic acid
SMILESCCC(C)C(NS(=O)(=O)CC(=O)OC)C(=O)O
InChIInChI=1S/C9H17NO6S/c1-4-6(2)8(9(12)13)10-17(14,15)5-7(11)16-3/h6,8,10H,4-5H2,1-3H3,(H,12,13)
InChIKeyGHMWAWRRXSMSTL-UHFFFAOYSA-N
XLogP-0.42
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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)-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanoic acid
CID 54947569
(2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]hexanoic acid
CID 107145097
(2S,3S)-3-methyl-2-(2-methylpropylsulfamoylamino)pentanoic acid
CID 104978587
2-cyclohexyl-2-[(2-methoxy-2-oxoethyl)sulfonylamino]acetic acid
CID 61358761
3-[(1-methoxy-3-methyl-1-oxopentan-2-yl)sulfamoyl]propanoic acid
CID 43716066
(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
2-[(3,5-dimethylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 60641481

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-methylpentanoic acid?
The IUPAC name of 2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-methylpentanoic acid (CID 61359142) is 2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-methylpentanoic acid?
The canonical SMILES for 2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-methylpentanoic acid is CCC(C)C(NS(=O)(=O)CC(=O)OC)C(=O)O.
What is the InChIKey of 2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-methylpentanoic acid?
The InChIKey is GHMWAWRRXSMSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6S/c1-4-6(2)8(9(12)13)10-17(14,15)5-7(11)16-3/h6,8,10H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-methylpentanoic acid?
2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-methylpentanoic acid has a molecular weight of 267.30 g/mol, XLogP of -0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-methylpentanoic acid is sourced from PubChem (CID 61359142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).