ethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate

C14H19NO2 — CID 14031444

IUPACethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCC(c2ccccc2)N1C
InChIInChI=1S/C14H19NO2/c1-3-17-14(16)13-10-9-12(15(13)2)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3
InChIKeyLAONDENADWGYLK-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.38
Rot. Bonds3

About ethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate

ethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate (PubChem CID 14031444) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate
PubChem CID14031444
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCC(c2ccccc2)N1C
InChIInChI=1S/C14H19NO2/c1-3-17-14(16)13-10-9-12(15(13)2)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3
InChIKeyLAONDENADWGYLK-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl (2R,5S)-1-methylpyrrolidine-2,5-dicarboxylate
CID 13279466
ethyl (2S)-1-[(2R)-2-phenylazetidin-1-yl]sulfonylpyrrolidine-2-carboxylate
CID 97184210
1-O-benzyl 2-O,5-O-diethyl (2S,5R)-pyrrolidine-1,2,5-tricarboxylate
CID 126495779
1-O-benzyl 2-O,5-O-diethyl pyrrolidine-1,2,5-tricarboxylate
CID 135148581
ethyl (2R,5S)-1-(1-tert-butyl-2,3-dihydroindole-2-carbonyl)-5-phenylpyrrolidine-2-carboxylate
CID 172731422
ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
ethyl (5S)-1-benzyl-5-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxylate
CID 90809176
(2R)-1-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxylic acid
CID 66700307
ethyl (1S,3R,8R)-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
CID 11889765
ethyl (2S,5R,6S)-1-benzhydryl-5-hydroxy-6-methylpiperidine-2-carboxylate
CID 15552371
diethyl (2R,4S)-1-benzylazetidine-2,4-dicarboxylate
CID 102218591
ethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate
CID 13065907

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate (CID 14031444) is ethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate is CCOC(=O)C1CCC(c2ccccc2)N1C.
What is the InChIKey of ethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate?
The InChIKey is LAONDENADWGYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-17-14(16)13-10-9-12(15(13)2)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3.
What are the key properties of ethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate?
ethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate is sourced from PubChem (CID 14031444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).