ethyl 3-oxo-4-(3-oxobutyl)pyrrolidine-1-carboxylate

C11H17NO4 — CID 20562393

IUPACethyl 3-oxo-4-(3-oxobutyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CC(=O)C(CCC(C)=O)C1
InChIInChI=1S/C11H17NO4/c1-3-16-11(15)12-6-9(10(14)7-12)5-4-8(2)13/h9H,3-7H2,1-2H3
InChIKeyYVHSJXQPSCUBBM-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.01
Rot. Bonds4

About ethyl 3-oxo-4-(3-oxobutyl)pyrrolidine-1-carboxylate

ethyl 3-oxo-4-(3-oxobutyl)pyrrolidine-1-carboxylate (PubChem CID 20562393) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is ethyl 3-oxo-4-(3-oxobutyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-oxo-4-(3-oxobutyl)pyrrolidine-1-carboxylate
PubChem CID20562393
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Nameethyl 3-oxo-4-(3-oxobutyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CC(=O)C(CCC(C)=O)C1
InChIInChI=1S/C11H17NO4/c1-3-16-11(15)12-6-9(10(14)7-12)5-4-8(2)13/h9H,3-7H2,1-2H3
InChIKeyYVHSJXQPSCUBBM-UHFFFAOYSA-N
XLogP1.01
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 59197988
ethyl 3-oxo-2-(3-oxobutyl)piperidine-1-carboxylate
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CID 117273087
ethyl 2-[(3S,5R)-5-methyl-2-oxo-3-(3-oxobutyl)pyrrolidin-1-yl]acetate
CID 54116747
ethyl 3-ethoxy-4-oxopiperidine-1-carboxylate
CID 15096763
diethyl (4R)-3-oxopiperidine-1,4-dicarboxylate
CID 92950874
tert-butyl 3-(3-methylbut-3-enyl)-4-oxopiperidine-1-carboxylate
CID 114473100
ethyl 5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 59789428
ethyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate
CID 34180905
benzyl 4-oxo-3-propylpiperidine-1-carboxylate
CID 91755235
tert-butyl 3-(cyclopropylmethyl)-4-oxopyrrolidine-1-carboxylate
CID 178201142
tert-butyl 4-oxo-3-propylpiperidine-1-carboxylate
CID 57376569

Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-4-(3-oxobutyl)pyrrolidine-1-carboxylate?
The IUPAC name of ethyl 3-oxo-4-(3-oxobutyl)pyrrolidine-1-carboxylate (CID 20562393) is ethyl 3-oxo-4-(3-oxobutyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 3-oxo-4-(3-oxobutyl)pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 3-oxo-4-(3-oxobutyl)pyrrolidine-1-carboxylate is CCOC(=O)N1CC(=O)C(CCC(C)=O)C1.
What is the InChIKey of ethyl 3-oxo-4-(3-oxobutyl)pyrrolidine-1-carboxylate?
The InChIKey is YVHSJXQPSCUBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-3-16-11(15)12-6-9(10(14)7-12)5-4-8(2)13/h9H,3-7H2,1-2H3.
What are the key properties of ethyl 3-oxo-4-(3-oxobutyl)pyrrolidine-1-carboxylate?
ethyl 3-oxo-4-(3-oxobutyl)pyrrolidine-1-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-4-(3-oxobutyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 20562393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).