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

C14H17NO4 — CID 105360187

IUPACethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)C1NC(=O)CC1c1cccc(OC)c1
InChIInChI=1S/C14H17NO4/c1-3-19-14(17)13-11(8-12(16)15-13)9-5-4-6-10(7-9)18-2/h4-7,11,13H,3,8H2,1-2H3,(H,15,16)
InChIKeyKPCPGSXFAYUYGH-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.23
Rot. Bonds4

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

ethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate (PubChem CID 105360187) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is ethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate
PubChem CID105360187
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Nameethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)C1NC(=O)CC1c1cccc(OC)c1
InChIInChI=1S/C14H17NO4/c1-3-19-14(17)13-11(8-12(16)15-13)9-5-4-6-10(7-9)18-2/h4-7,11,13H,3,8H2,1-2H3,(H,15,16)
InChIKeyKPCPGSXFAYUYGH-UHFFFAOYSA-N
XLogP1.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360299
ethyl 3-[3-(methoxymethyl)phenyl]-5-oxopyrrolidine-2-carboxylate
CID 105360312
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
ethyl (1R,6S)-6-(3-methoxyphenyl)-4-(3-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 99798625
ethyl 6-(3-methoxyphenyl)-4-(3-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 86820216
diethyl (4R,6R,7S)-4,7-bis(3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
CID 6548215
ethyl (1S,6S)-6-(3-methoxyphenyl)-4-(2-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 124847248
ethyl 4-(4-bromophenyl)-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 139245873
ethyl (4S)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 691118

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of ethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate (CID 105360187) is ethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate is CCOC(=O)C1NC(=O)CC1c1cccc(OC)c1.
What is the InChIKey of ethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is KPCPGSXFAYUYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-3-19-14(17)13-11(8-12(16)15-13)9-5-4-6-10(7-9)18-2/h4-7,11,13H,3,8H2,1-2H3,(H,15,16).
What are the key properties of ethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate?
ethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 105360187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).