methyl 2-(1-benzyl-4-methylpyrrolidin-2-yl)acetate

C15H21NO2 — CID 90060732

IUPACmethyl 2-(1-benzyl-4-methylpyrrolidin-2-yl)acetate
SMILESCOC(=O)CC1CC(C)CN1Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-12-8-14(9-15(17)18-2)16(10-12)11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyCFWMKRCWPOQDQM-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.46
Rot. Bonds4

About methyl 2-(1-benzyl-4-methylpyrrolidin-2-yl)acetate

methyl 2-(1-benzyl-4-methylpyrrolidin-2-yl)acetate (PubChem CID 90060732) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 2-(1-benzyl-4-methylpyrrolidin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-benzyl-4-methylpyrrolidin-2-yl)acetate
PubChem CID90060732
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 2-(1-benzyl-4-methylpyrrolidin-2-yl)acetate
SMILESCOC(=O)CC1CC(C)CN1Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-12-8-14(9-15(17)18-2)16(10-12)11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyCFWMKRCWPOQDQM-UHFFFAOYSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
CID 23248612
methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate
CID 22710010
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
tert-butyl (3R,6R)-4-benzyl-3-ethyl-6-(2-methoxy-2-oxoethyl)-1,4-diazepane-1-carboxylate
CID 174022929
methyl 2-(1-benzyl-4-methylidenepyrrolidin-3-yl)acetate
CID 15265293
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
methyl (2S,4S)-4-acetyl-1-benzylpyrrolidine-2-carboxylate
CID 129390617
[(2S,3S,5S)-1-benzyl-5-methyl-2-(methylcarbamoyl)piperidin-3-yl] benzoate
CID 118459842
(3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol
CID 14117026
methyl (2R,5R)-2,4-dibenzyl-5-methylpiperazine-1-carboxylate
CID 68690521
ethyl 2-[1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-yl]acetate
CID 58376551

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-benzyl-4-methylpyrrolidin-2-yl)acetate?
The IUPAC name of methyl 2-(1-benzyl-4-methylpyrrolidin-2-yl)acetate (CID 90060732) is methyl 2-(1-benzyl-4-methylpyrrolidin-2-yl)acetate.
What is the SMILES notation for methyl 2-(1-benzyl-4-methylpyrrolidin-2-yl)acetate?
The canonical SMILES for methyl 2-(1-benzyl-4-methylpyrrolidin-2-yl)acetate is COC(=O)CC1CC(C)CN1Cc1ccccc1.
What is the InChIKey of methyl 2-(1-benzyl-4-methylpyrrolidin-2-yl)acetate?
The InChIKey is CFWMKRCWPOQDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-8-14(9-15(17)18-2)16(10-12)11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3.
What are the key properties of methyl 2-(1-benzyl-4-methylpyrrolidin-2-yl)acetate?
methyl 2-(1-benzyl-4-methylpyrrolidin-2-yl)acetate has a molecular weight of 247.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-benzyl-4-methylpyrrolidin-2-yl)acetate is sourced from PubChem (CID 90060732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).