methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate

C15H21NO2 — CID 83980866

IUPACmethyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate
SMILESCOC(=O)CC1CCN(Cc2cccc(C)c2)C1
InChIInChI=1S/C15H21NO2/c1-12-4-3-5-13(8-12)10-16-7-6-14(11-16)9-15(17)18-2/h3-5,8,14H,6-7,9-11H2,1-2H3
InChIKeyOFGZQKMSOOFURO-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.38
Rot. Bonds4

About methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate

methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate (PubChem CID 83980866) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate
PubChem CID83980866
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate
SMILESCOC(=O)CC1CCN(Cc2cccc(C)c2)C1
InChIInChI=1S/C15H21NO2/c1-12-4-3-5-13(8-12)10-16-7-6-14(11-16)9-15(17)18-2/h3-5,8,14H,6-7,9-11H2,1-2H3
InChIKeyOFGZQKMSOOFURO-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980816
methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate
CID 79822269
ethyl 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980965
methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980671
2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081248
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927879
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide
CID 17221703
2-methyl-3-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide
CID 83980883
2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 114802511
N-tert-butyl-1-[(3-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 155981160
2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 83983429

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate (CID 83980866) is methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate is COC(=O)CC1CCN(Cc2cccc(C)c2)C1.
What is the InChIKey of methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate?
The InChIKey is OFGZQKMSOOFURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-4-3-5-13(8-12)10-16-7-6-14(11-16)9-15(17)18-2/h3-5,8,14H,6-7,9-11H2,1-2H3.
What are the key properties of methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate?
methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate has a molecular weight of 247.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate is sourced from PubChem (CID 83980866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).