2-(cyclopentylsulfonylamino)-3,3-dimethylbutanoic acid

C11H21NO4S — CID 105360711

IUPAC2-(cyclopentylsulfonylamino)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NS(=O)(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C11H21NO4S/c1-11(2,3)9(10(13)14)12-17(15,16)8-6-4-5-7-8/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyNQQINQYBWQJRBB-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.35
Rot. Bonds4

About 2-(cyclopentylsulfonylamino)-3,3-dimethylbutanoic acid

2-(cyclopentylsulfonylamino)-3,3-dimethylbutanoic acid (PubChem CID 105360711) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(cyclopentylsulfonylamino)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(cyclopentylsulfonylamino)-3,3-dimethylbutanoic acid
PubChem CID105360711
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2-(cyclopentylsulfonylamino)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NS(=O)(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C11H21NO4S/c1-11(2,3)9(10(13)14)12-17(15,16)8-6-4-5-7-8/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyNQQINQYBWQJRBB-UHFFFAOYSA-N
XLogP1.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

(2R)-2-(cyclopentylsulfonylamino)propanoic acid
CID 105360780
(2S)-2-(cyclohexylmethylsulfonylamino)-3,3-dimethylbutanoic acid
CID 61454161
2-(cyclopentylsulfonylamino)-3-hydroxypropanoic acid
CID 105360687
(2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid
CID 79011296
2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
CID 61065990
(2S)-2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
CID 61155518
2-(cyclopentylsulfonylamino)-3-methylpentanoic acid
CID 105360683
2-(ethylsulfonylamino)-3,3-dimethylbutanoic acid
CID 43468064
2-(cyclopentylsulfonylamino)-4-methoxybutanoic acid
CID 105360794
(2R)-2-(cyclopentylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 114005100
(2R)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-3,3-dimethylbutanoic acid
CID 103926722
(2S)-2-(cyclohexylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 107823923

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfonylamino)-3,3-dimethylbutanoic acid?
The IUPAC name of 2-(cyclopentylsulfonylamino)-3,3-dimethylbutanoic acid (CID 105360711) is 2-(cyclopentylsulfonylamino)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(cyclopentylsulfonylamino)-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-(cyclopentylsulfonylamino)-3,3-dimethylbutanoic acid is CC(C)(C)C(NS(=O)(=O)C1CCCC1)C(=O)O.
What is the InChIKey of 2-(cyclopentylsulfonylamino)-3,3-dimethylbutanoic acid?
The InChIKey is NQQINQYBWQJRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-11(2,3)9(10(13)14)12-17(15,16)8-6-4-5-7-8/h8-9,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-(cyclopentylsulfonylamino)-3,3-dimethylbutanoic acid?
2-(cyclopentylsulfonylamino)-3,3-dimethylbutanoic acid has a molecular weight of 263.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfonylamino)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 105360711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).