1-[2-(3-methylsulfonylpropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid

C12H21NO5S — CID 54906188

IUPAC1-[2-(3-methylsulfonylpropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)CCCNC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C12H21NO5S/c1-19(17,18)8-4-7-13-10(14)9-12(11(15)16)5-2-3-6-12/h2-9H2,1H3,(H,13,14)(H,15,16)
InChIKeyZJMWKHOMBMVQDT-UHFFFAOYSA-N
MW291.37 g/mol
LogP0.57
Rot. Bonds7

About 1-[2-(3-methylsulfonylpropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(3-methylsulfonylpropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 54906188) has the molecular formula C12H21NO5S and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-[2-(3-methylsulfonylpropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methylsulfonylpropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID54906188
Molecular FormulaC12H21NO5S
Molecular Weight291.37 g/mol
Exact Mass291.11
IUPAC Name1-[2-(3-methylsulfonylpropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)CCCNC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C12H21NO5S/c1-19(17,18)8-4-7-13-10(14)9-12(11(15)16)5-2-3-6-12/h2-9H2,1H3,(H,13,14)(H,15,16)
InChIKeyZJMWKHOMBMVQDT-UHFFFAOYSA-N
XLogP0.57
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(3-methylsulfonylpropylamino)-2-oxoethyl]cyclopentane-1-carboxylic 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

1-[2-(butylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43529487
1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43546068
1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529498
1-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60889868
1-[2-oxo-2-(2-sulfamoylethylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43552024
1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106334798
1-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529270
1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid
CID 102538298
1-[2-(6-hydroxyhexylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 107846493
1-[(4-methylsulfonylbutanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 120543941
1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402208
1-amino-N-(3-methylsulfonylpropyl)cyclopentane-1-carboxamide
CID 61036737

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylsulfonylpropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(3-methylsulfonylpropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 54906188) is 1-[2-(3-methylsulfonylpropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methylsulfonylpropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(3-methylsulfonylpropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid is CS(=O)(=O)CCCNC(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-(3-methylsulfonylpropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZJMWKHOMBMVQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5S/c1-19(17,18)8-4-7-13-10(14)9-12(11(15)16)5-2-3-6-12/h2-9H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 1-[2-(3-methylsulfonylpropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(3-methylsulfonylpropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 291.37 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylsulfonylpropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 54906188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).