2-[(2-cyclopentylsulfonylacetyl)amino]butanoic acid

C11H19NO5S — CID 119224037

IUPAC2-[(2-cyclopentylsulfonylacetyl)amino]butanoic acid
SMILESCCC(NC(=O)CS(=O)(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C11H19NO5S/c1-2-9(11(14)15)12-10(13)7-18(16,17)8-5-3-4-6-8/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyOCGRJGYKWHBBQB-UHFFFAOYSA-N
MW277.34 g/mol
LogP0.32
Rot. Bonds6

About 2-[(2-cyclopentylsulfonylacetyl)amino]butanoic acid

2-[(2-cyclopentylsulfonylacetyl)amino]butanoic acid (PubChem CID 119224037) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-[(2-cyclopentylsulfonylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopentylsulfonylacetyl)amino]butanoic acid
PubChem CID119224037
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Name2-[(2-cyclopentylsulfonylacetyl)amino]butanoic acid
SMILESCCC(NC(=O)CS(=O)(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C11H19NO5S/c1-2-9(11(14)15)12-10(13)7-18(16,17)8-5-3-4-6-8/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyOCGRJGYKWHBBQB-UHFFFAOYSA-N
XLogP0.32
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-cyclopentylsulfonylacetyl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(2-cyclopentylsulfonylacetyl)amino]-3-methylbutanoic acid
CID 119369506
3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid
CID 119237505
2-[(2-cyclopentylsulfonylacetyl)amino]-2-cyclopropylacetic acid
CID 119213913
2-[(2-cycloheptylacetyl)amino]butanoic acid
CID 115909894
2-cyclopentylsulfonyl-N-[(1R)-1-(3,5-dimethylphenyl)ethyl]acetamide
CID 95338225
2-[[2-(2-methylpropylsulfonyl)acetyl]amino]butanoic acid
CID 119223785
5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid
CID 122056704
2-(cyclohexylcarbamoylamino)butanoic acid
CID 43469984
2-(cyclopentylamino)butanoic acid
CID 60998249
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopentylsulfonylacetamide;hydrochloride
CID 119606077
(2R)-2-(3-cyclopentylsulfonylpropanoylamino)-3-methylbutanoic acid
CID 119368827
2-[[cycloheptyl(methyl)carbamoyl]amino]butanoic acid
CID 61201094

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentylsulfonylacetyl)amino]butanoic acid?
The IUPAC name of 2-[(2-cyclopentylsulfonylacetyl)amino]butanoic acid (CID 119224037) is 2-[(2-cyclopentylsulfonylacetyl)amino]butanoic acid.
What is the SMILES notation for 2-[(2-cyclopentylsulfonylacetyl)amino]butanoic acid?
The canonical SMILES for 2-[(2-cyclopentylsulfonylacetyl)amino]butanoic acid is CCC(NC(=O)CS(=O)(=O)C1CCCC1)C(=O)O.
What is the InChIKey of 2-[(2-cyclopentylsulfonylacetyl)amino]butanoic acid?
The InChIKey is OCGRJGYKWHBBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-2-9(11(14)15)12-10(13)7-18(16,17)8-5-3-4-6-8/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(2-cyclopentylsulfonylacetyl)amino]butanoic acid?
2-[(2-cyclopentylsulfonylacetyl)amino]butanoic acid has a molecular weight of 277.34 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentylsulfonylacetyl)amino]butanoic acid is sourced from PubChem (CID 119224037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).