ethyl 2-ethyl-5-oxopyrrolidine-2-carboxylate

C9H15NO3 — CID 58405373

IUPACethyl 2-ethyl-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)C1(CC)CCC(=O)N1
InChIInChI=1S/C9H15NO3/c1-3-9(8(12)13-4-2)6-5-7(11)10-9/h3-6H2,1-2H3,(H,10,11)
InChIKeyUUVHYQMZCNUUIJ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.61
Rot. Bonds3

About ethyl 2-ethyl-5-oxopyrrolidine-2-carboxylate

ethyl 2-ethyl-5-oxopyrrolidine-2-carboxylate (PubChem CID 58405373) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl 2-ethyl-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-5-oxopyrrolidine-2-carboxylate
PubChem CID58405373
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl 2-ethyl-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)C1(CC)CCC(=O)N1
InChIInChI=1S/C9H15NO3/c1-3-9(8(12)13-4-2)6-5-7(11)10-9/h3-6H2,1-2H3,(H,10,11)
InChIKeyUUVHYQMZCNUUIJ-UHFFFAOYSA-N
XLogP0.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-but-3-enyl-5-oxopyrrolidine-2-carboxylate
CID 154676193
ethyl (2S)-5-oxo-2-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 56840521
ethyl 2-[[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenyl]methyl]-5-oxopyrrolidine-2-carboxylate
CID 143033051
ethyl (2S)-2-butanoyl-7-oxoazepane-2-carboxylate
CID 102070664
ethyl (2R)-2-butanoyl-7-oxoazepane-2-carboxylate
CID 102070667
ethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate
CID 129073639
methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-2-carboxylate
CID 11694918
diethyl 6-oxooxane-3,3-dicarboxylate
CID 172560862
ethyl 1-ethyl-2-oxocycloheptane-1-carboxylate
CID 15074127
ethyl 1-ethyl-2-oxocyclododecane-1-carboxylate
CID 12013534
ethyl (1R)-1-fluoro-2-oxocyclopentane-1-carboxylate
CID 12847394
ethyl (2S)-2-hydroxy-5-oxooxolane-2-carboxylate
CID 163095762

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of ethyl 2-ethyl-5-oxopyrrolidine-2-carboxylate (CID 58405373) is ethyl 2-ethyl-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 2-ethyl-5-oxopyrrolidine-2-carboxylate is CCOC(=O)C1(CC)CCC(=O)N1.
What is the InChIKey of ethyl 2-ethyl-5-oxopyrrolidine-2-carboxylate?
The InChIKey is UUVHYQMZCNUUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-9(8(12)13-4-2)6-5-7(11)10-9/h3-6H2,1-2H3,(H,10,11).
What are the key properties of ethyl 2-ethyl-5-oxopyrrolidine-2-carboxylate?
ethyl 2-ethyl-5-oxopyrrolidine-2-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 58405373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).