ethyl 1-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-2-carboxylate

C12H21NO5 — CID 118992889

IUPACethyl 1-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-2-carboxylate
SMILESCCOC(=O)CCN1CC(O)CC1C(=O)OCC
InChIInChI=1S/C12H21NO5/c1-3-17-11(15)5-6-13-8-9(14)7-10(13)12(16)18-4-2/h9-10,14H,3-8H2,1-2H3
InChIKeyGWGLLZHWRUKKBB-UHFFFAOYSA-N
MW259.30 g/mol
LogP-0.06
Rot. Bonds6

About ethyl 1-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-2-carboxylate

ethyl 1-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 118992889) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is ethyl 1-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID118992889
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Nameethyl 1-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-2-carboxylate
SMILESCCOC(=O)CCN1CC(O)CC1C(=O)OCC
InChIInChI=1S/C12H21NO5/c1-3-17-11(15)5-6-13-8-9(14)7-10(13)12(16)18-4-2/h9-10,14H,3-8H2,1-2H3
InChIKeyGWGLLZHWRUKKBB-UHFFFAOYSA-N
XLogP-0.06
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-2-carboxylate (CID 118992889) is ethyl 1-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-2-carboxylate is CCOC(=O)CCN1CC(O)CC1C(=O)OCC.
What is the InChIKey of ethyl 1-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is GWGLLZHWRUKKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-3-17-11(15)5-6-13-8-9(14)7-10(13)12(16)18-4-2/h9-10,14H,3-8H2,1-2H3.
What are the key properties of ethyl 1-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-2-carboxylate?
ethyl 1-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 259.30 g/mol, XLogP of -0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 118992889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).