1-(cyclopropylmethylsulfonyl)pyrrolidine-3-carboxylic acid

C9H15NO4S — CID 64987647

IUPAC1-(cyclopropylmethylsulfonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)CC2CC2)C1
InChIInChI=1S/C9H15NO4S/c11-9(12)8-3-4-10(5-8)15(13,14)6-7-1-2-7/h7-8H,1-6H2,(H,11,12)
InChIKeyYZGYWEBIUZHNPQ-UHFFFAOYSA-N
MW233.29 g/mol
LogP0.13
Rot. Bonds4

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

1-(cyclopropylmethylsulfonyl)pyrrolidine-3-carboxylic acid (PubChem CID 64987647) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(cyclopropylmethylsulfonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethylsulfonyl)pyrrolidine-3-carboxylic acid
PubChem CID64987647
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name1-(cyclopropylmethylsulfonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)CC2CC2)C1
InChIInChI=1S/C9H15NO4S/c11-9(12)8-3-4-10(5-8)15(13,14)6-7-1-2-7/h7-8H,1-6H2,(H,11,12)
InChIKeyYZGYWEBIUZHNPQ-UHFFFAOYSA-N
XLogP0.13
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopropylmethylsulfonyl)pyrrolidine-3-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-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-(cyclopropylmethylsulfonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethylsulfonyl)pyrrolidine-3-carboxylic acid (CID 64987647) is 1-(cyclopropylmethylsulfonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethylsulfonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethylsulfonyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethylsulfonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YZGYWEBIUZHNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S/c11-9(12)8-3-4-10(5-8)15(13,14)6-7-1-2-7/h7-8H,1-6H2,(H,11,12).
What are the key properties of 1-(cyclopropylmethylsulfonyl)pyrrolidine-3-carboxylic acid?
1-(cyclopropylmethylsulfonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 233.29 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylsulfonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 64987647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).