ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate

C16H23NO2 — CID 59511336

IUPACethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(CC)CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-3-16(15(18)19-4-2)10-11-17(13-16)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
InChIKeyPXMMSTWZZXIKIG-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.85
Rot. Bonds5

About ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate

ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate (PubChem CID 59511336) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
PubChem CID59511336
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(CC)CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-3-16(15(18)19-4-2)10-11-17(13-16)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
InChIKeyPXMMSTWZZXIKIG-UHFFFAOYSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-benzyl-3-(fluoromethyl)pyrrolidine-3-carboxylate
CID 54443836
hydroxylamine;methyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
CID 143488487
methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate
CID 67228894
ethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate
CID 60796783
ethyl 1-benzyl-4-[hydroxy(methoxy)methyl]piperidine-4-carboxylate
CID 163783877
ethyl 1-benzyl-4-ethylsulfonylpiperidine-4-carboxylate
CID 99997104
ethyl 3-[benzoyl(methyl)amino]-1-benzylpyrrolidine-3-carboxylate
CID 22359901
ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate
CID 23724015
(3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid
CID 34180361
ethyl 1-benzyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate
CID 62353874
ethyl 1-[(3-acetylphenyl)methyl]-4-benzylpiperidine-4-carboxylate
CID 26411542
1-benzyl-3-(fluoromethyl)pyrrolidine-3-carboxylic acid
CID 19691457

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate (CID 59511336) is ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate is CCOC(=O)C1(CC)CCN(Cc2ccccc2)C1.
What is the InChIKey of ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate?
The InChIKey is PXMMSTWZZXIKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-16(15(18)19-4-2)10-11-17(13-16)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3.
What are the key properties of ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate?
ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 59511336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).