(2S)-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid

C8H13NO4S — CID 79673182

IUPAC(2S)-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid
SMILESC=CCS(=O)(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C8H13NO4S/c1-2-6-14(12,13)9-5-3-4-7(9)8(10)11/h2,7H,1,3-6H2,(H,10,11)/t7-/m0/s1
InChIKeyNVEXDUZKEQSGMI-ZETCQYMHSA-N
MW219.26 g/mol
LogP0.05
Rot. Bonds4

About (2S)-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid

(2S)-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid (PubChem CID 79673182) has the molecular formula C8H13NO4S and a molecular weight of 219.26 g/mol. Its IUPAC name is (2S)-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid
PubChem CID79673182
Molecular FormulaC8H13NO4S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name(2S)-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid
SMILESC=CCS(=O)(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C8H13NO4S/c1-2-6-14(12,13)9-5-3-4-7(9)8(10)11/h2,7H,1,3-6H2,(H,10,11)/t7-/m0/s1
InChIKeyNVEXDUZKEQSGMI-ZETCQYMHSA-N
XLogP0.05
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
2-methyl-1-prop-2-enylsulfonylpiperidin-3-ol
CID 130979047
1-[bis(prop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857764
(2S)-1-(2-methoxy-2-oxoethyl)sulfonylpyrrolidine-2-carboxylic acid
CID 61359148
(2R)-1-(3-methylbutylsulfonyl)pyrrolidine-2-carboxylic acid
CID 78952354
5-oxo-1-prop-2-enylsulfonylpiperazine-2-carboxylic acid
CID 107435376
(2S)-1-benzylsulfonylpyrrolidine-2-carboxylic acid
CID 10199278
1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid
CID 105360669
(2S)-1-(3-cyano-3-methylbutyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069762
(2R)-1-[2-(1-methylcyclopropyl)ethylsulfonyl]pyrrolidine-2-carboxylic acid
CID 122069658
(2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid
CID 61137595
1-(3-methoxy-2-methylpropyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122068683

Frequently Asked Questions

What is the IUPAC name of (2S)-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid (CID 79673182) is (2S)-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid is C=CCS(=O)(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is NVEXDUZKEQSGMI-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13NO4S/c1-2-6-14(12,13)9-5-3-4-7(9)8(10)11/h2,7H,1,3-6H2,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid?
(2S)-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 219.26 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79673182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).