2-(cyclopentylsulfonylamino)-3-methylpentanoic acid

C11H21NO4S — CID 105360683

IUPAC2-(cyclopentylsulfonylamino)-3-methylpentanoic acid
SMILESCCC(C)C(NS(=O)(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C11H21NO4S/c1-3-8(2)10(11(13)14)12-17(15,16)9-6-4-5-7-9/h8-10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyJFIBXQXFCJNCKF-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.35
Rot. Bonds6

About 2-(cyclopentylsulfonylamino)-3-methylpentanoic acid

2-(cyclopentylsulfonylamino)-3-methylpentanoic acid (PubChem CID 105360683) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(cyclopentylsulfonylamino)-3-methylpentanoic acid.

Molecular Properties

Compound Name2-(cyclopentylsulfonylamino)-3-methylpentanoic acid
PubChem CID105360683
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2-(cyclopentylsulfonylamino)-3-methylpentanoic acid
SMILESCCC(C)C(NS(=O)(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C11H21NO4S/c1-3-8(2)10(11(13)14)12-17(15,16)9-6-4-5-7-9/h8-10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyJFIBXQXFCJNCKF-UHFFFAOYSA-N
XLogP1.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-3-methylpentanoic acid
CID 43351320
(2R)-2-(cyclopentylsulfonylamino)propanoic acid
CID 105360780
(2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid
CID 79011296
2-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methylpentanoic acid
CID 43172836
(2S,3R)-2-(cyclopropylsulfonylamino)-3-hydroxybutanoic acid
CID 104935303
(2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977898
(2S)-2-[(4-ethylcyclohexyl)sulfonylamino]-3-methylbutanoic acid
CID 143588619
(2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid
CID 28784129
2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
CID 61065990
(2S)-2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
CID 61155518
(2S,3S)-2-(azetidin-1-ylsulfonylamino)-3-methylpentanoic acid
CID 122069875
(2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid
CID 61173835

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfonylamino)-3-methylpentanoic acid?
The IUPAC name of 2-(cyclopentylsulfonylamino)-3-methylpentanoic acid (CID 105360683) is 2-(cyclopentylsulfonylamino)-3-methylpentanoic acid.
What is the SMILES notation for 2-(cyclopentylsulfonylamino)-3-methylpentanoic acid?
The canonical SMILES for 2-(cyclopentylsulfonylamino)-3-methylpentanoic acid is CCC(C)C(NS(=O)(=O)C1CCCC1)C(=O)O.
What is the InChIKey of 2-(cyclopentylsulfonylamino)-3-methylpentanoic acid?
The InChIKey is JFIBXQXFCJNCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-3-8(2)10(11(13)14)12-17(15,16)9-6-4-5-7-9/h8-10,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-(cyclopentylsulfonylamino)-3-methylpentanoic acid?
2-(cyclopentylsulfonylamino)-3-methylpentanoic acid has a molecular weight of 263.36 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfonylamino)-3-methylpentanoic acid is sourced from PubChem (CID 105360683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).