ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate

C15H19NO4 — CID 59322202

IUPACethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccccc2OC)C1
InChIInChI=1S/C15H19NO4/c1-3-20-15(18)11-8-9-16(10-11)14(17)12-6-4-5-7-13(12)19-2/h4-7,11H,3,8-10H2,1-2H3
InChIKeyMXACMARYIXPPLX-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.72
Rot. Bonds4

About ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate

ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate (PubChem CID 59322202) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
PubChem CID59322202
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccccc2OC)C1
InChIInChI=1S/C15H19NO4/c1-3-20-15(18)11-8-9-16(10-11)14(17)12-6-4-5-7-13(12)19-2/h4-7,11H,3,8-10H2,1-2H3
InChIKeyMXACMARYIXPPLX-UHFFFAOYSA-N
XLogP1.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
butyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate
CID 91715326
tetradecyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate
CID 91742565
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761172
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
ethyl (3S)-1-(2-iodobenzoyl)piperidine-3-carboxylate
CID 1345981
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623
[2-(2-methoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739829
ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761989
ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 105064219
methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate
CID 78919045

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate (CID 59322202) is ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccccc2OC)C1.
What is the InChIKey of ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate?
The InChIKey is MXACMARYIXPPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-3-20-15(18)11-8-9-16(10-11)14(17)12-6-4-5-7-13(12)19-2/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate?
ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 59322202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).