ethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate

C10H17NO4 — CID 23251970

IUPACethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1CC(=O)OC
InChIInChI=1S/C10H17NO4/c1-3-15-10(13)11-6-4-5-8(11)7-9(12)14-2/h8H,3-7H2,1-2H3
InChIKeyMBFXREZYBJUCQW-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.17
Rot. Bonds3

About ethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate

ethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate (PubChem CID 23251970) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
PubChem CID23251970
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1CC(=O)OC
InChIInChI=1S/C10H17NO4/c1-3-15-10(13)11-6-4-5-8(11)7-9(12)14-2/h8H,3-7H2,1-2H3
InChIKeyMBFXREZYBJUCQW-UHFFFAOYSA-N
XLogP1.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate?
The IUPAC name of ethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate (CID 23251970) is ethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate is CCOC(=O)N1CCCC1CC(=O)OC.
What is the InChIKey of ethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate?
The InChIKey is MBFXREZYBJUCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-15-10(13)11-6-4-5-8(11)7-9(12)14-2/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate?
ethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 23251970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).