ethyl (3R)-3-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-3-carboxylate

C11H17NO5 — CID 97184502

IUPACethyl (3R)-3-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCOC(=O)C[C@@]1(C(=O)OCC)CNC(=O)C1
InChIInChI=1S/C11H17NO5/c1-3-16-9(14)6-11(10(15)17-4-2)5-8(13)12-7-11/h3-7H2,1-2H3,(H,12,13)/t11-/m1/s1
InChIKeyGKONDLRZGSAWIZ-LLVKDONJSA-N
MW243.26 g/mol
LogP0.01
Rot. Bonds5

About ethyl (3R)-3-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-3-carboxylate

ethyl (3R)-3-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 97184502) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is ethyl (3R)-3-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-3-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID97184502
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Nameethyl (3R)-3-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCOC(=O)C[C@@]1(C(=O)OCC)CNC(=O)C1
InChIInChI=1S/C11H17NO5/c1-3-16-9(14)6-11(10(15)17-4-2)5-8(13)12-7-11/h3-7H2,1-2H3,(H,12,13)/t11-/m1/s1
InChIKeyGKONDLRZGSAWIZ-LLVKDONJSA-N
XLogP0.01
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 1-(2-ethoxy-2-oxoethyl)-3,4-dimethylidene-2-oxocyclopentane-1-carboxylate
CID 123363624
ethyl 2-(3-hydroxyazetidin-3-yl)acetate
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4-acetyl-4-aminopyrrolidin-2-one
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ethyl (3R)-3-hydrazinyl-2,5-dioxopyrrolidine-3-carboxylate
CID 102519853
ethyl 2-[2-(2-ethoxy-2-oxoethyl)-5,7-dimethyl-6-oxo-1,3-diazoniatricyclo[3.3.1.13,7]decan-2-yl]acetate
CID 6966521
4-ethyl-4-methylpyrrolidin-2-one
CID 18784903
ethyl 2-ethyl-5-oxopyrrolidine-2-carboxylate
CID 58405373
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
3-amino-5-oxopyrrolidine-3-carboxylic acid
CID 162691228
ethyl 1-prop-2-enylcyclopropane-1-carboxylate
CID 12619317
ethyl 3-(1-amino-2-oxocyclopropyl)propanoate
CID 57247494

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of ethyl (3R)-3-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-3-carboxylate (CID 97184502) is ethyl (3R)-3-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-3-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-3-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-3-carboxylate is CCOC(=O)C[C@@]1(C(=O)OCC)CNC(=O)C1.
What is the InChIKey of ethyl (3R)-3-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is GKONDLRZGSAWIZ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO5/c1-3-16-9(14)6-11(10(15)17-4-2)5-8(13)12-7-11/h3-7H2,1-2H3,(H,12,13)/t11-/m1/s1.
What are the key properties of ethyl (3R)-3-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-3-carboxylate?
ethyl (3R)-3-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 97184502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).