(2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybutanoate

C12H21NO4 — CID 78876077

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybutanoate
SMILESCCOCCCC(=O)OCC(=O)N1CCCC1
InChIInChI=1S/C12H21NO4/c1-2-16-9-5-6-12(15)17-10-11(14)13-7-3-4-8-13/h2-10H2,1H3
InChIKeyHVYZOOVGDUXYDJ-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.97
Rot. Bonds7

About (2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybutanoate

(2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybutanoate (PubChem CID 78876077) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybutanoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybutanoate
PubChem CID78876077
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybutanoate
SMILESCCOCCCC(=O)OCC(=O)N1CCCC1
InChIInChI=1S/C12H21NO4/c1-2-16-9-5-6-12(15)17-10-11(14)13-7-3-4-8-13/h2-10H2,1H3
InChIKeyHVYZOOVGDUXYDJ-UHFFFAOYSA-N
XLogP0.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-oxo-2-piperidin-1-ylethyl) propanoate
CID 57259337
3-ethoxy-1-piperidin-1-ylpropan-1-one
CID 63184381
4-ethoxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]butan-1-one
CID 78881730
1-[(3R)-3-aminopiperidin-1-yl]-4-ethoxybutan-1-one
CID 102978557
ethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
CID 60671852
diethyl pentanedioate;2-ethoxyethanol
CID 174867931
ethyl 4-[[amino(piperidin-1-yl)methylidene]amino]butanoate
CID 111025670
2-acetyloxyethyl 4-ethoxybutanoate
CID 23405564
1-amino-3-(3-ethoxypropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 104888188
ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate
CID 103783648
ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate
CID 110678236
4-ethoxy-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 80707058

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybutanoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybutanoate (CID 78876077) is (2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybutanoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybutanoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybutanoate is CCOCCCC(=O)OCC(=O)N1CCCC1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybutanoate?
The InChIKey is HVYZOOVGDUXYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-2-16-9-5-6-12(15)17-10-11(14)13-7-3-4-8-13/h2-10H2,1H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybutanoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybutanoate has a molecular weight of 243.30 g/mol, XLogP of 0.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybutanoate is sourced from PubChem (CID 78876077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).