1-cyclopropylsulfonylpyrrolidine-3-carboxylic acid

C8H13NO4S — CID 21076142

IUPAC1-cyclopropylsulfonylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C8H13NO4S/c10-8(11)6-3-4-9(5-6)14(12,13)7-1-2-7/h6-7H,1-5H2,(H,10,11)
InChIKeyHHNCUHVPLSRJEG-UHFFFAOYSA-N
MW219.26 g/mol
LogP-0.11
Rot. Bonds3

About 1-cyclopropylsulfonylpyrrolidine-3-carboxylic acid

1-cyclopropylsulfonylpyrrolidine-3-carboxylic acid (PubChem CID 21076142) has the molecular formula C8H13NO4S and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-cyclopropylsulfonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropylsulfonylpyrrolidine-3-carboxylic acid
PubChem CID21076142
Molecular FormulaC8H13NO4S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name1-cyclopropylsulfonylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C8H13NO4S/c10-8(11)6-3-4-9(5-6)14(12,13)7-1-2-7/h6-7H,1-5H2,(H,10,11)
InChIKeyHHNCUHVPLSRJEG-UHFFFAOYSA-N
XLogP-0.11
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methanesulfonylpyrrolidine-3-carboxylic acid
CID 21076148
1-Cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 64554294
1-(Cyclopropylmethylsulfonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 64988079
4-Methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine-3-carboxylic acid
CID 83068329
1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidine-3-carboxylic acid
CID 83068475
(3S,4S)-4-methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine-3-carboxylic acid
CID 114085534
1-(3-Fluoropropylsulfonyl)pyrrolidine-3-carboxylic acid
CID 120082977
1-(3-Fluoropropylsulfonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 120398386
(3S,4S)-1-cyclopropylsulfonyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120961702
(3S,4S)-1-cyclopropylsulfonyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120961703
1-(4-Fluorobutylsulfonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 121768463
(3S,4S)-1-(3-methylbutylsulfonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 121816255

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclopropylsulfonylpyrrolidine-3-carboxylic acid (CID 21076142) is 1-cyclopropylsulfonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropylsulfonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropylsulfonylpyrrolidine-3-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 1-cyclopropylsulfonylpyrrolidine-3-carboxylic acid?
The InChIKey is HHNCUHVPLSRJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4S/c10-8(11)6-3-4-9(5-6)14(12,13)7-1-2-7/h6-7H,1-5H2,(H,10,11).
What are the key properties of 1-cyclopropylsulfonylpyrrolidine-3-carboxylic acid?
1-cyclopropylsulfonylpyrrolidine-3-carboxylic acid has a molecular weight of 219.26 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 21076142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).