ethyl 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate

C14H16N2O5 — CID 168693143

IUPACethyl 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccncc1N1CC(C(=O)OC)CC1=O
InChIInChI=1S/C14H16N2O5/c1-3-21-14(19)10-4-5-15-7-11(10)16-8-9(6-12(16)17)13(18)20-2/h4-5,7,9H,3,6,8H2,1-2H3
InChIKeyFQEBDXBSJSMQDQ-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.78
Rot. Bonds4

About ethyl 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate

ethyl 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate (PubChem CID 168693143) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is ethyl 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate
PubChem CID168693143
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Nameethyl 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccncc1N1CC(C(=O)OC)CC1=O
InChIInChI=1S/C14H16N2O5/c1-3-21-14(19)10-4-5-15-7-11(10)16-8-9(6-12(16)17)13(18)20-2/h4-5,7,9H,3,6,8H2,1-2H3
InChIKeyFQEBDXBSJSMQDQ-UHFFFAOYSA-N
XLogP0.78
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693768
ethyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate
CID 168684151
ethyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate
CID 168675341
methyl 1-isoquinolin-8-yl-5-oxopyrrolidine-3-carboxylate
CID 168695069
methyl 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate
CID 168662324
methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate
CID 168695333
methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate
CID 50873886
methyl 4-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-3-carboxylate
CID 168687699
methyl 5-oxo-1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-3-carboxylate
CID 50879682
ethyl 1-(5-ethoxycarbonyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50873677
ethyl (3S)-1-(5-ethoxycarbonyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94076061
methyl 1-(2-iodophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694888

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate?
The IUPAC name of ethyl 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate (CID 168693143) is ethyl 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate is CCOC(=O)c1ccncc1N1CC(C(=O)OC)CC1=O.
What is the InChIKey of ethyl 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate?
The InChIKey is FQEBDXBSJSMQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-3-21-14(19)10-4-5-15-7-11(10)16-8-9(6-12(16)17)13(18)20-2/h4-5,7,9H,3,6,8H2,1-2H3.
What are the key properties of ethyl 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate?
ethyl 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate has a molecular weight of 292.29 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate is sourced from PubChem (CID 168693143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).