methyl 2-(1-benzylpyrrolidin-2-yl)acetate

C14H19NO2 — CID 15113780

IUPACmethyl 2-(1-benzylpyrrolidin-2-yl)acetate
SMILESCOC(=O)CC1CCCN1Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-17-14(16)10-13-8-5-9-15(13)11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
InChIKeyFDDKIOBSNZVSGD-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.21
Rot. Bonds4

About methyl 2-(1-benzylpyrrolidin-2-yl)acetate

methyl 2-(1-benzylpyrrolidin-2-yl)acetate (PubChem CID 15113780) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2-(1-benzylpyrrolidin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-benzylpyrrolidin-2-yl)acetate
PubChem CID15113780
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 2-(1-benzylpyrrolidin-2-yl)acetate
SMILESCOC(=O)CC1CCCN1Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-17-14(16)10-13-8-5-9-15(13)11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
InChIKeyFDDKIOBSNZVSGD-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-benzylpyrrolidin-2-yl)acetate?
The IUPAC name of methyl 2-(1-benzylpyrrolidin-2-yl)acetate (CID 15113780) is methyl 2-(1-benzylpyrrolidin-2-yl)acetate.
What is the SMILES notation for methyl 2-(1-benzylpyrrolidin-2-yl)acetate?
The canonical SMILES for methyl 2-(1-benzylpyrrolidin-2-yl)acetate is COC(=O)CC1CCCN1Cc1ccccc1.
What is the InChIKey of methyl 2-(1-benzylpyrrolidin-2-yl)acetate?
The InChIKey is FDDKIOBSNZVSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-14(16)10-13-8-5-9-15(13)11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3.
What are the key properties of methyl 2-(1-benzylpyrrolidin-2-yl)acetate?
methyl 2-(1-benzylpyrrolidin-2-yl)acetate has a molecular weight of 233.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-benzylpyrrolidin-2-yl)acetate is sourced from PubChem (CID 15113780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).