1-(cyclobutylmethylsulfonyl)pyrrolidine-3-carboxylic acid

C10H17NO4S — CID 122068595

IUPAC1-(cyclobutylmethylsulfonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)CC2CCC2)C1
InChIInChI=1S/C10H17NO4S/c12-10(13)9-4-5-11(6-9)16(14,15)7-8-2-1-3-8/h8-9H,1-7H2,(H,12,13)
InChIKeyIHBMWUZTEJDJBU-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.52
Rot. Bonds4

About 1-(cyclobutylmethylsulfonyl)pyrrolidine-3-carboxylic acid

1-(cyclobutylmethylsulfonyl)pyrrolidine-3-carboxylic acid (PubChem CID 122068595) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(cyclobutylmethylsulfonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclobutylmethylsulfonyl)pyrrolidine-3-carboxylic acid
PubChem CID122068595
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name1-(cyclobutylmethylsulfonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)CC2CCC2)C1
InChIInChI=1S/C10H17NO4S/c12-10(13)9-4-5-11(6-9)16(14,15)7-8-2-1-3-8/h8-9H,1-7H2,(H,12,13)
InChIKeyIHBMWUZTEJDJBU-UHFFFAOYSA-N
XLogP0.52
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopentylethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 122068407
1-(cyclopentylmethylsulfonyl)piperidine-4-carboxamide
CID 90924048
4-chloro-1-(cyclohexylmethylsulfonyl)piperidine
CID 63396715
1-pentylsulfonylpyrrolidine-3-carboxylic acid
CID 122068573
1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid
CID 55150630
[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol
CID 64987457
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 114797288
1-(cyclohexylmethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041332
1-(cyclopropylmethylsulfonyl)piperidin-3-ol
CID 64987994
1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid
CID 63030973
1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 60858591
2-[[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]methylamino]acetic acid;hydrochloride
CID 120727075

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethylsulfonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(cyclobutylmethylsulfonyl)pyrrolidine-3-carboxylic acid (CID 122068595) is 1-(cyclobutylmethylsulfonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclobutylmethylsulfonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclobutylmethylsulfonyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)CC2CCC2)C1.
What is the InChIKey of 1-(cyclobutylmethylsulfonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is IHBMWUZTEJDJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c12-10(13)9-4-5-11(6-9)16(14,15)7-8-2-1-3-8/h8-9H,1-7H2,(H,12,13).
What are the key properties of 1-(cyclobutylmethylsulfonyl)pyrrolidine-3-carboxylic acid?
1-(cyclobutylmethylsulfonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 247.32 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethylsulfonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122068595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).