methyl 1-methoxy-4-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate

C14H17NO5 — CID 126643590

IUPACmethyl 1-methoxy-4-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1C(=O)N(OC)CC1c1ccc(OC)cc1
InChIInChI=1S/C14H17NO5/c1-18-10-6-4-9(5-7-10)11-8-15(20-3)13(16)12(11)14(17)19-2/h4-7,11-12H,8H2,1-3H3
InChIKeyAUDRHDINGBDCJE-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.97
Rot. Bonds4

About methyl 1-methoxy-4-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate

methyl 1-methoxy-4-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate (PubChem CID 126643590) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is methyl 1-methoxy-4-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methoxy-4-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate
PubChem CID126643590
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Namemethyl 1-methoxy-4-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1C(=O)N(OC)CC1c1ccc(OC)cc1
InChIInChI=1S/C14H17NO5/c1-18-10-6-4-9(5-7-10)11-8-15(20-3)13(16)12(11)14(17)19-2/h4-7,11-12H,8H2,1-3H3
InChIKeyAUDRHDINGBDCJE-UHFFFAOYSA-N
XLogP0.97
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl (2R,3S,4aS)-3-(4-methoxyphenyl)-1-oxo-3,4,4a,6-tetrahydro-2H-pyrido[1,2-a][3,1]benzoxazine-2-carboxylate
CID 54752084
dimethyl (1R,4S,5R,7R)-5-hydroxy-7-(4-methoxyphenyl)cycloheptane-1,4-dicarboxylate
CID 10616838
ethyl (3R,4S)-1-(4-methoxybenzoyl)-2-oxo-4-phenylpyrrolidine-3-carboxylate
CID 1379104
(3S,4S)-4-(3,4-difluorophenyl)-N-(6-fluoro-2-pyridinyl)-1-methoxy-2-oxopyrrolidine-3-carboxamide
CID 134412696
(3S,4S)-N-(2,3-difluorophenyl)-4-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412202
methyl (2S)-1-(4-methoxyphenyl)aziridine-2-carboxylate
CID 102355680
methyl 4-(4-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 4574997
4-(4-methoxyphenyl)pyrrolidine-1,3-dicarboxylic acid
CID 135307106
(3R,4R)-4-(4-methoxyphenyl)-2-oxooxolane-3-carboxylic acid
CID 124842580
methyl 1-(cyanomethyl)-3-(4-methoxyphenyl)piperidine-4-carboxylate
CID 84757857
1-(2-chlorocyclopropyl)-4-methoxybenzene
CID 53421606
(5S)-5-(4-methoxyphenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide
CID 142375780

Frequently Asked Questions

What is the IUPAC name of methyl 1-methoxy-4-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-methoxy-4-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate (CID 126643590) is methyl 1-methoxy-4-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-methoxy-4-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-methoxy-4-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate is COC(=O)C1C(=O)N(OC)CC1c1ccc(OC)cc1.
What is the InChIKey of methyl 1-methoxy-4-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate?
The InChIKey is AUDRHDINGBDCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-18-10-6-4-9(5-7-10)11-8-15(20-3)13(16)12(11)14(17)19-2/h4-7,11-12H,8H2,1-3H3.
What are the key properties of methyl 1-methoxy-4-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate?
methyl 1-methoxy-4-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate has a molecular weight of 279.29 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methoxy-4-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 126643590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).