2-[(2R)-1-[methyl(2-phenylethyl)sulfamoyl]pyrrolidin-2-yl]acetic acid

C15H22N2O4S — CID 166267257

IUPAC2-[(2R)-1-[methyl(2-phenylethyl)sulfamoyl]pyrrolidin-2-yl]acetic acid
SMILESCN(CCc1ccccc1)S(=O)(=O)N1CCC[C@@H]1CC(=O)O
InChIInChI=1S/C15H22N2O4S/c1-16(11-9-13-6-3-2-4-7-13)22(20,21)17-10-5-8-14(17)12-15(18)19/h2-4,6-7,14H,5,8-12H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyFWFHLDJASHIJAT-CQSZACIVSA-N
MW326.42 g/mol
LogP1.34
Rot. Bonds7

About 2-[(2R)-1-[methyl(2-phenylethyl)sulfamoyl]pyrrolidin-2-yl]acetic acid

2-[(2R)-1-[methyl(2-phenylethyl)sulfamoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 166267257) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-[(2R)-1-[methyl(2-phenylethyl)sulfamoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-1-[methyl(2-phenylethyl)sulfamoyl]pyrrolidin-2-yl]acetic acid
PubChem CID166267257
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-[(2R)-1-[methyl(2-phenylethyl)sulfamoyl]pyrrolidin-2-yl]acetic acid
SMILESCN(CCc1ccccc1)S(=O)(=O)N1CCC[C@@H]1CC(=O)O
InChIInChI=1S/C15H22N2O4S/c1-16(11-9-13-6-3-2-4-7-13)22(20,21)17-10-5-8-14(17)12-15(18)19/h2-4,6-7,14H,5,8-12H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyFWFHLDJASHIJAT-CQSZACIVSA-N
XLogP1.34
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-phenacylpyrrolidine-1-sulfonamide
CID 75448267
2-[1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61370104
1-[2-(2-methoxyphenyl)ethyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid
CID 146134184
2-(1-ethylsulfonylpyrrolidin-2-yl)acetic acid
CID 61372468
N-ethyl-N-methyl-2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide
CID 75448273
2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371561
2-[methyl(2-phenylethyl)sulfamoyl]acetic acid
CID 60951883
2-(1-tert-butylsulfonylpyrrolidin-2-yl)acetic acid
CID 63689892
2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61371093
3-[1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469370
1-(1-benzylsulfonylazepan-2-yl)propan-2-one
CID 79541444
N,N-dimethyl-2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethanesulfonamide
CID 84600963

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[methyl(2-phenylethyl)sulfamoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-1-[methyl(2-phenylethyl)sulfamoyl]pyrrolidin-2-yl]acetic acid (CID 166267257) is 2-[(2R)-1-[methyl(2-phenylethyl)sulfamoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-1-[methyl(2-phenylethyl)sulfamoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-1-[methyl(2-phenylethyl)sulfamoyl]pyrrolidin-2-yl]acetic acid is CN(CCc1ccccc1)S(=O)(=O)N1CCC[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(2R)-1-[methyl(2-phenylethyl)sulfamoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is FWFHLDJASHIJAT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-16(11-9-13-6-3-2-4-7-13)22(20,21)17-10-5-8-14(17)12-15(18)19/h2-4,6-7,14H,5,8-12H2,1H3,(H,18,19)/t14-/m1/s1.
What are the key properties of 2-[(2R)-1-[methyl(2-phenylethyl)sulfamoyl]pyrrolidin-2-yl]acetic acid?
2-[(2R)-1-[methyl(2-phenylethyl)sulfamoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 326.42 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[methyl(2-phenylethyl)sulfamoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 166267257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).