ethyl 3-[3-(methoxymethyl)phenyl]-5-oxopyrrolidine-2-carboxylate

C15H19NO4 — CID 105360312

IUPACethyl 3-[3-(methoxymethyl)phenyl]-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)C1NC(=O)CC1c1cccc(COC)c1
InChIInChI=1S/C15H19NO4/c1-3-20-15(18)14-12(8-13(17)16-14)11-6-4-5-10(7-11)9-19-2/h4-7,12,14H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyDUCKMRQXYSIDFD-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.37
Rot. Bonds5

About ethyl 3-[3-(methoxymethyl)phenyl]-5-oxopyrrolidine-2-carboxylate

ethyl 3-[3-(methoxymethyl)phenyl]-5-oxopyrrolidine-2-carboxylate (PubChem CID 105360312) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 3-[3-(methoxymethyl)phenyl]-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[3-(methoxymethyl)phenyl]-5-oxopyrrolidine-2-carboxylate
PubChem CID105360312
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl 3-[3-(methoxymethyl)phenyl]-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)C1NC(=O)CC1c1cccc(COC)c1
InChIInChI=1S/C15H19NO4/c1-3-20-15(18)14-12(8-13(17)16-14)11-6-4-5-10(7-11)9-19-2/h4-7,12,14H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyDUCKMRQXYSIDFD-UHFFFAOYSA-N
XLogP1.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360187
ethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360299
4-[3-(methoxymethyl)phenyl]-5-methylpyrrolidin-2-one
CID 66106095
ethyl 3-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360333
ethyl 3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 78120546
ethyl 3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate
CID 105360130
ethyl 3-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360365
benzyl (2S,3R)-3-ethyl-5-oxopyrrolidine-2-carboxylate
CID 70113338
ethyl 3-(2-methyl-1-benzofuran-3-yl)-5-oxopyrrolidine-2-carboxylate
CID 105360281
diethyl 5-oxopyrrolidine-2,3-dicarboxylate
CID 45272996
(2R,3S)-3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 129366152
(2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 129366137

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(methoxymethyl)phenyl]-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of ethyl 3-[3-(methoxymethyl)phenyl]-5-oxopyrrolidine-2-carboxylate (CID 105360312) is ethyl 3-[3-(methoxymethyl)phenyl]-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 3-[3-(methoxymethyl)phenyl]-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 3-[3-(methoxymethyl)phenyl]-5-oxopyrrolidine-2-carboxylate is CCOC(=O)C1NC(=O)CC1c1cccc(COC)c1.
What is the InChIKey of ethyl 3-[3-(methoxymethyl)phenyl]-5-oxopyrrolidine-2-carboxylate?
The InChIKey is DUCKMRQXYSIDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-3-20-15(18)14-12(8-13(17)16-14)11-6-4-5-10(7-11)9-19-2/h4-7,12,14H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of ethyl 3-[3-(methoxymethyl)phenyl]-5-oxopyrrolidine-2-carboxylate?
ethyl 3-[3-(methoxymethyl)phenyl]-5-oxopyrrolidine-2-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(methoxymethyl)phenyl]-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 105360312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).