ethyl 2-benzylpyrrolidine-2-carboxylate

C14H19NO2 — CID 75525875

IUPACethyl 2-benzylpyrrolidine-2-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2)CCCN1
InChIInChI=1S/C14H19NO2/c1-2-17-13(16)14(9-6-10-15-14)11-12-7-4-3-5-8-12/h3-5,7-8,15H,2,6,9-11H2,1H3
InChIKeyRZZQCXQPOYGTSJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.91
Rot. Bonds4

About ethyl 2-benzylpyrrolidine-2-carboxylate

ethyl 2-benzylpyrrolidine-2-carboxylate (PubChem CID 75525875) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 2-benzylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzylpyrrolidine-2-carboxylate
PubChem CID75525875
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl 2-benzylpyrrolidine-2-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2)CCCN1
InChIInChI=1S/C14H19NO2/c1-2-17-13(16)14(9-6-10-15-14)11-12-7-4-3-5-8-12/h3-5,7-8,15H,2,6,9-11H2,1H3
InChIKeyRZZQCXQPOYGTSJ-UHFFFAOYSA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(4-bromophenyl)methyl]pyrrolidine-2-carboxylate
CID 20786311
(2-benzylpyrrolidin-2-yl)-phenylmethanone
CID 594890
ethyl 2-[(3-methoxyphenyl)methyl]piperidine-2-carboxylate;hydrochloride
CID 112758018
ethyl (3R)-3-benzyl-2-sulfanylidenepiperidine-3-carboxylate
CID 10755015
ethyl (3S)-3-benzylpiperidine-3-carboxylate
CID 10800527
ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318
diethyl 2-benzylpiperidine-3,3-dicarboxylate
CID 21436196
benzyl 2-[(E)-but-2-enyl]pyrrolidine-2-carboxylate
CID 139425827
diethyl 2-benzylpiperidine-3,3-dicarboxylate;hydrochloride
CID 21436195
(2S)-2-[(4-ethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 25030154
methyl (3R)-3-acetyloxy-2-[(2-benzylpyrrolidine-2-carbonyl)amino]butanoate
CID 138627975
3-O'-benzyl 3-O-ethyl piperidine-3,3-dicarboxylate
CID 22078511

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzylpyrrolidine-2-carboxylate?
The IUPAC name of ethyl 2-benzylpyrrolidine-2-carboxylate (CID 75525875) is ethyl 2-benzylpyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 2-benzylpyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 2-benzylpyrrolidine-2-carboxylate is CCOC(=O)C1(Cc2ccccc2)CCCN1.
What is the InChIKey of ethyl 2-benzylpyrrolidine-2-carboxylate?
The InChIKey is RZZQCXQPOYGTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-17-13(16)14(9-6-10-15-14)11-12-7-4-3-5-8-12/h3-5,7-8,15H,2,6,9-11H2,1H3.
What are the key properties of ethyl 2-benzylpyrrolidine-2-carboxylate?
ethyl 2-benzylpyrrolidine-2-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzylpyrrolidine-2-carboxylate is sourced from PubChem (CID 75525875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).