benzyl 3-ethyl-4-methylpyrrolidine-1-carboxylate

C15H21NO2 — CID 70961150

IUPACbenzyl 3-ethyl-4-methylpyrrolidine-1-carboxylate
SMILESCCC1CN(C(=O)OCc2ccccc2)CC1C
InChIInChI=1S/C15H21NO2/c1-3-14-10-16(9-12(14)2)15(17)18-11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3
InChIKeyMWNIAVDMUDIIOF-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.30
Rot. Bonds3

About benzyl 3-ethyl-4-methylpyrrolidine-1-carboxylate

benzyl 3-ethyl-4-methylpyrrolidine-1-carboxylate (PubChem CID 70961150) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is benzyl 3-ethyl-4-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-ethyl-4-methylpyrrolidine-1-carboxylate
PubChem CID70961150
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namebenzyl 3-ethyl-4-methylpyrrolidine-1-carboxylate
SMILESCCC1CN(C(=O)OCc2ccccc2)CC1C
InChIInChI=1S/C15H21NO2/c1-3-14-10-16(9-12(14)2)15(17)18-11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3
InChIKeyMWNIAVDMUDIIOF-UHFFFAOYSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 46939493
(3S,4R)-4-ethyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 89439878
CID 140847052
CID 140847052
benzyl (3S,4S)-3-carbonochloridoyl-4-ethylpyrrolidine-1-carboxylate
CID 125483175
benzyl (3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 91666693
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
benzyl (3R,4R)-3-amino-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylate
CID 154462312
benzyl (3S,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate
CID 71262078
(3R,4S)-4-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 170901087
(3R,4R)-4-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 67126561
benzyl (3R,4S)-3-hydroxy-4-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 46939031
benzyl (3S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 142802088

Frequently Asked Questions

What is the IUPAC name of benzyl 3-ethyl-4-methylpyrrolidine-1-carboxylate?
The IUPAC name of benzyl 3-ethyl-4-methylpyrrolidine-1-carboxylate (CID 70961150) is benzyl 3-ethyl-4-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 3-ethyl-4-methylpyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 3-ethyl-4-methylpyrrolidine-1-carboxylate is CCC1CN(C(=O)OCc2ccccc2)CC1C.
What is the InChIKey of benzyl 3-ethyl-4-methylpyrrolidine-1-carboxylate?
The InChIKey is MWNIAVDMUDIIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-14-10-16(9-12(14)2)15(17)18-11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3.
What are the key properties of benzyl 3-ethyl-4-methylpyrrolidine-1-carboxylate?
benzyl 3-ethyl-4-methylpyrrolidine-1-carboxylate has a molecular weight of 247.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-ethyl-4-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 70961150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).