methyl 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate

C14H17NO4 — CID 2967353

IUPACmethyl 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCOc1ccc(N2CC(C(=O)OC)CC2=O)cc1
InChIInChI=1S/C14H17NO4/c1-3-19-12-6-4-11(5-7-12)15-9-10(8-13(15)16)14(17)18-2/h4-7,10H,3,8-9H2,1-2H3
InChIKeyVFPYPZLTMMQZET-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.61
Rot. Bonds4

About methyl 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 2967353) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID2967353
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCOc1ccc(N2CC(C(=O)OC)CC2=O)cc1
InChIInChI=1S/C14H17NO4/c1-3-19-12-6-4-11(5-7-12)15-9-10(8-13(15)16)14(17)18-2/h4-7,10H,3,8-9H2,1-2H3
InChIKeyVFPYPZLTMMQZET-UHFFFAOYSA-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

1-(4-Methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2736758
1-(4-Methoxyphenyl)-2,5-pyrrolidinedione
CID 345843
4-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindol-2(3H)-yl)phenyl acetate
CID 2861679
4-[(4-Ethoxyphenyl)amino]-4-oxobutanoic acid
CID 307455
5-Oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2741833
1-(2-Methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 3153845
N-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3153910
4-[(2,6-Dimethylmorpholin-4-yl)carbonyl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 6457883
1-(4-Methoxyphenyl)-4-(morpholin-4-ylcarbonyl)pyrrolidin-2-one
CID 6458630
1-(2-Ethoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 6459126
1-(4-Methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 6460167

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate (CID 2967353) is methyl 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate is CCOc1ccc(N2CC(C(=O)OC)CC2=O)cc1.
What is the InChIKey of methyl 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is VFPYPZLTMMQZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-3-19-12-6-4-11(5-7-12)15-9-10(8-13(15)16)14(17)18-2/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of methyl 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(4-ethoxyphenyl)-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 methyl 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 2967353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).