methyl 2-(3-methoxyphenyl)-3-oxopyrrolidine-1-carboxylate

C13H15NO4 — CID 11482053

IUPACmethyl 2-(3-methoxyphenyl)-3-oxopyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC(=O)C1c1cccc(OC)c1
InChIInChI=1S/C13H15NO4/c1-17-10-5-3-4-9(8-10)12-11(15)6-7-14(12)13(16)18-2/h3-5,8,12H,6-7H2,1-2H3
InChIKeyCGKIUAPSXAHNEO-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.78
Rot. Bonds2

About methyl 2-(3-methoxyphenyl)-3-oxopyrrolidine-1-carboxylate

methyl 2-(3-methoxyphenyl)-3-oxopyrrolidine-1-carboxylate (PubChem CID 11482053) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 2-(3-methoxyphenyl)-3-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-methoxyphenyl)-3-oxopyrrolidine-1-carboxylate
PubChem CID11482053
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namemethyl 2-(3-methoxyphenyl)-3-oxopyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC(=O)C1c1cccc(OC)c1
InChIInChI=1S/C13H15NO4/c1-17-10-5-3-4-9(8-10)12-11(15)6-7-14(12)13(16)18-2/h3-5,8,12H,6-7H2,1-2H3
InChIKeyCGKIUAPSXAHNEO-UHFFFAOYSA-N
XLogP1.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-oxo-2-phenylazetidine-1-carboxylate
CID 15110746
(1S)-N-[(3-methoxyphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 168865360
ethyl 8-bromo-6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 71606022
(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
CID 129415891
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
methyl 2-(3-chlorophenyl)-3-oxopiperazine-1-carboxylate
CID 110656859
methyl (1S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 7450865
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 15189984
methyl 4-[[4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanoate
CID 42649054
methyl 2-[[4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 42648836
ethyl 7-methoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110289304
tert-butyl (4S)-4-(3-methoxyphenyl)-3-oxopiperidine-1-carboxylate
CID 95566665

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methoxyphenyl)-3-oxopyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-(3-methoxyphenyl)-3-oxopyrrolidine-1-carboxylate (CID 11482053) is methyl 2-(3-methoxyphenyl)-3-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-(3-methoxyphenyl)-3-oxopyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-(3-methoxyphenyl)-3-oxopyrrolidine-1-carboxylate is COC(=O)N1CCC(=O)C1c1cccc(OC)c1.
What is the InChIKey of methyl 2-(3-methoxyphenyl)-3-oxopyrrolidine-1-carboxylate?
The InChIKey is CGKIUAPSXAHNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-17-10-5-3-4-9(8-10)12-11(15)6-7-14(12)13(16)18-2/h3-5,8,12H,6-7H2,1-2H3.
What are the key properties of methyl 2-(3-methoxyphenyl)-3-oxopyrrolidine-1-carboxylate?
methyl 2-(3-methoxyphenyl)-3-oxopyrrolidine-1-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methoxyphenyl)-3-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 11482053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).