ethyl 2-[[4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetate

C16H22N2O6S — CID 617551

IUPACethyl 2-[[4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C1CC(O)CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H22N2O6S/c1-3-24-15(20)9-17-16(21)14-8-12(19)10-18(14)25(22,23)13-6-4-11(2)5-7-13/h4-7,12,14,19H,3,8-10H2,1-2H3,(H,17,21)
InChIKeyGHKRRMNJKZWOHX-UHFFFAOYSA-N
MW370.43 g/mol
LogP-0.20
Rot. Bonds6

About ethyl 2-[[4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetate

ethyl 2-[[4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetate (PubChem CID 617551) has the molecular formula C16H22N2O6S and a molecular weight of 370.43 g/mol. Its IUPAC name is ethyl 2-[[4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetate
PubChem CID617551
Molecular FormulaC16H22N2O6S
Molecular Weight370.43 g/mol
Exact Mass370.12
IUPAC Nameethyl 2-[[4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C1CC(O)CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H22N2O6S/c1-3-24-15(20)9-17-16(21)14-8-12(19)10-18(14)25(22,23)13-6-4-11(2)5-7-13/h4-7,12,14,19H,3,8-10H2,1-2H3,(H,17,21)
InChIKeyGHKRRMNJKZWOHX-UHFFFAOYSA-N
XLogP-0.20
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2R,4R)-4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 10470830
2-[[(2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carbonyl]amino]acetate
CID 8829293
methyl 4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 76663943
(2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 126825870
methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 54043412
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] (2R,4S)-4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 2481018
(2S,4R)-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 165357520
(2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[(2S,4R)-4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 22901196
ethyl 2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]acetate
CID 60811787
ethyl 2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methylamino]-2-oxoacetate
CID 7286192
ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate
CID 95561819
(2R,4R)-4-hydroxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 98397285

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetate (CID 617551) is ethyl 2-[[4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetate is CCOC(=O)CNC(=O)C1CC(O)CN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-[[4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetate?
The InChIKey is GHKRRMNJKZWOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6S/c1-3-24-15(20)9-17-16(21)14-8-12(19)10-18(14)25(22,23)13-6-4-11(2)5-7-13/h4-7,12,14,19H,3,8-10H2,1-2H3,(H,17,21).
What are the key properties of ethyl 2-[[4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetate?
ethyl 2-[[4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetate has a molecular weight of 370.43 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetate is sourced from PubChem (CID 617551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).