ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

C14H17NO4 — CID 94075916

IUPACethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1
InChIInChI=1S/C14H17NO4/c1-3-19-14(17)10-8-13(16)15(9-10)11-6-4-5-7-12(11)18-2/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
InChIKeyXJFOTIVPTYOYSY-SNVBAGLBSA-N
MW263.29 g/mol
LogP1.61
Rot. Bonds4

About ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 94075916) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID94075916
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Nameethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1
InChIInChI=1S/C14H17NO4/c1-3-19-14(17)10-8-13(16)15(9-10)11-6-4-5-7-12(11)18-2/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
InChIKeyXJFOTIVPTYOYSY-SNVBAGLBSA-N
XLogP1.61
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7545638
(4-methylphenyl)methyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7543997
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
ethyl (3S)-5-oxo-1-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 94077638
ethyl 1-(5-ethoxycarbonyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50873677
ethyl (3S)-1-(5-ethoxycarbonyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94076061
[2-(2-ethoxyanilino)-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7546244
(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075915
(4-methoxyphenyl) (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057175
[2-(2,4-dimethylphenyl)-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7545133
ethyl (3R)-1-(4-chloro-2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075992
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7546627

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (CID 94075916) is ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is CCOC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1.
What is the InChIKey of ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is XJFOTIVPTYOYSY-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17NO4/c1-3-19-14(17)10-8-13(16)15(9-10)11-6-4-5-7-12(11)18-2/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 94075916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).