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

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Related Compounds

1-(1,1-dioxothian-4-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid
CID 62085649
4-methoxy-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 43099011
4-methoxy-1-[methyl(propan-2-yl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 54947196
1-(tert-butylsulfamoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 114805391
4-methoxy-1-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid
CID 43210342
1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid
CID 105360669
(2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid
CID 61137595
(2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 66986168
4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 114462039
4-methoxy-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine-2-carboxylic acid
CID 83068024
(2S,4R)-4-methoxy-1-propan-2-ylpyrrolidine-2-carboxylic acid
CID 53487433
1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422142

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).