3-methyl-2-[(2-methylpyrrolidin-1-yl)sulfonylamino]butanoic acid

C10H20N2O4S — CID 122067923

IUPAC3-methyl-2-[(2-methylpyrrolidin-1-yl)sulfonylamino]butanoic acid
SMILESCC(C)C(NS(=O)(=O)N1CCCC1C)C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-7(2)9(10(13)14)11-17(15,16)12-6-4-5-8(12)3/h7-9,11H,4-6H2,1-3H3,(H,13,14)
InChIKeySWVCGPPAAPHWLT-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.41
Rot. Bonds5

About 3-methyl-2-[(2-methylpyrrolidin-1-yl)sulfonylamino]butanoic acid

3-methyl-2-[(2-methylpyrrolidin-1-yl)sulfonylamino]butanoic acid (PubChem CID 122067923) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-methyl-2-[(2-methylpyrrolidin-1-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(2-methylpyrrolidin-1-yl)sulfonylamino]butanoic acid
PubChem CID122067923
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name3-methyl-2-[(2-methylpyrrolidin-1-yl)sulfonylamino]butanoic acid
SMILESCC(C)C(NS(=O)(=O)N1CCCC1C)C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-7(2)9(10(13)14)11-17(15,16)12-6-4-5-8(12)3/h7-9,11H,4-6H2,1-3H3,(H,13,14)
InChIKeySWVCGPPAAPHWLT-UHFFFAOYSA-N
XLogP0.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide
CID 95277876
4-amino-2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-oxobutanoic acid
CID 43210817
2-(2-methylpyrrolidin-1-yl)sulfonylpropanoic acid
CID 61458091
3-methoxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 81078480
N-(4-hydroxypentan-2-yl)-2-methylpiperidine-1-sulfonamide
CID 113376619
2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-methylsulfonylbutanoic acid
CID 43094969
(2R)-N-tert-butyl-2-[[(2R)-2-methylpiperidin-1-yl]sulfonylamino]propanamide
CID 124727544
1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857629
(2R)-2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid
CID 79010860
(2S)-2-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]-3-methylbutanoic acid
CID 61136238
2-[(2,6-dimethylpiperidin-1-yl)amino]-3-methylbutanoic acid
CID 103261111
(2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid
CID 10445626

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-methylpyrrolidin-1-yl)sulfonylamino]butanoic acid?
The IUPAC name of 3-methyl-2-[(2-methylpyrrolidin-1-yl)sulfonylamino]butanoic acid (CID 122067923) is 3-methyl-2-[(2-methylpyrrolidin-1-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(2-methylpyrrolidin-1-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 3-methyl-2-[(2-methylpyrrolidin-1-yl)sulfonylamino]butanoic acid is CC(C)C(NS(=O)(=O)N1CCCC1C)C(=O)O.
What is the InChIKey of 3-methyl-2-[(2-methylpyrrolidin-1-yl)sulfonylamino]butanoic acid?
The InChIKey is SWVCGPPAAPHWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-7(2)9(10(13)14)11-17(15,16)12-6-4-5-8(12)3/h7-9,11H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 3-methyl-2-[(2-methylpyrrolidin-1-yl)sulfonylamino]butanoic acid?
3-methyl-2-[(2-methylpyrrolidin-1-yl)sulfonylamino]butanoic acid has a molecular weight of 264.35 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methylpyrrolidin-1-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 122067923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).