1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid

C11H19NO5S — CID 105360699

IUPAC1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(S(=O)(=O)C2CCCC2)C1
InChIInChI=1S/C11H19NO5S/c1-17-8-6-10(11(13)14)12(7-8)18(15,16)9-4-2-3-5-9/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeySGEACCJORVCYKV-UHFFFAOYSA-N
MW277.34 g/mol
LogP0.43
Rot. Bonds4

About 1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid

1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 105360699) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID105360699
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Name1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(S(=O)(=O)C2CCCC2)C1
InChIInChI=1S/C11H19NO5S/c1-17-8-6-10(11(13)14)12(7-8)18(15,16)9-4-2-3-5-9/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeySGEACCJORVCYKV-UHFFFAOYSA-N
XLogP0.43
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid (CID 105360699) is 1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(S(=O)(=O)C2CCCC2)C1.
What is the InChIKey of 1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is SGEACCJORVCYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-17-8-6-10(11(13)14)12(7-8)18(15,16)9-4-2-3-5-9/h8-10H,2-7H2,1H3,(H,13,14).
What are the key properties of 1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid?
1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 277.34 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 105360699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).