methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate

C15H21NO3 — CID 83980671

IUPACmethyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
SMILESCOC(=O)CC1CCN(Cc2ccc(OC)cc2)C1
InChIInChI=1S/C15H21NO3/c1-18-14-5-3-12(4-6-14)10-16-8-7-13(11-16)9-15(17)19-2/h3-6,13H,7-11H2,1-2H3
InChIKeyVVCQFQLAJFFNNC-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.08
Rot. Bonds5

About methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate

methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate (PubChem CID 83980671) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
PubChem CID83980671
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
SMILESCOC(=O)CC1CCN(Cc2ccc(OC)cc2)C1
InChIInChI=1S/C15H21NO3/c1-18-14-5-3-12(4-6-14)10-16-8-7-13(11-16)9-15(17)19-2/h3-6,13H,7-11H2,1-2H3
InChIKeyVVCQFQLAJFFNNC-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980816
propan-2-yl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980669
N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 55083146
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate
CID 83983363
3-(chloromethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 63388374
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate
CID 83982822
4-[[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 166620619
methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980866
methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 17221672
methyl 2-[1-[(4-bromophenyl)methyl]piperidin-4-yl]acetate
CID 83983260
N-ethyl-2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980706
methyl 2-[1-[[4-(4-carbamimidoylphenyl)phenyl]methyl]pyrrolidin-3-yl]acetate;hydrochloride
CID 67576280

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate (CID 83980671) is methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate is COC(=O)CC1CCN(Cc2ccc(OC)cc2)C1.
What is the InChIKey of methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate?
The InChIKey is VVCQFQLAJFFNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-14-5-3-12(4-6-14)10-16-8-7-13(11-16)9-15(17)19-2/h3-6,13H,7-11H2,1-2H3.
What are the key properties of methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate?
methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate has a molecular weight of 263.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate is sourced from PubChem (CID 83980671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).