methyl 2-[2-(2-phenylacetyl)pyrrolidin-3-yl]acetate

C15H19NO3 — CID 69288594

IUPACmethyl 2-[2-(2-phenylacetyl)pyrrolidin-3-yl]acetate
SMILESCOC(=O)CC1CCNC1C(=O)Cc1ccccc1
InChIInChI=1S/C15H19NO3/c1-19-14(18)10-12-7-8-16-15(12)13(17)9-11-5-3-2-4-6-11/h2-6,12,15-16H,7-10H2,1H3
InChIKeyVTZFNMYJSQJBOX-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.34
Rot. Bonds5

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

methyl 2-[2-(2-phenylacetyl)pyrrolidin-3-yl]acetate (PubChem CID 69288594) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 2-[2-(2-phenylacetyl)pyrrolidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-phenylacetyl)pyrrolidin-3-yl]acetate
PubChem CID69288594
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl 2-[2-(2-phenylacetyl)pyrrolidin-3-yl]acetate
SMILESCOC(=O)CC1CCNC1C(=O)Cc1ccccc1
InChIInChI=1S/C15H19NO3/c1-19-14(18)10-12-7-8-16-15(12)13(17)9-11-5-3-2-4-6-11/h2-6,12,15-16H,7-10H2,1H3
InChIKeyVTZFNMYJSQJBOX-UHFFFAOYSA-N
XLogP1.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-phenylacetyl)pyrrolidin-3-yl]acetate?
The IUPAC name of methyl 2-[2-(2-phenylacetyl)pyrrolidin-3-yl]acetate (CID 69288594) is methyl 2-[2-(2-phenylacetyl)pyrrolidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[2-(2-phenylacetyl)pyrrolidin-3-yl]acetate?
The canonical SMILES for methyl 2-[2-(2-phenylacetyl)pyrrolidin-3-yl]acetate is COC(=O)CC1CCNC1C(=O)Cc1ccccc1.
What is the InChIKey of methyl 2-[2-(2-phenylacetyl)pyrrolidin-3-yl]acetate?
The InChIKey is VTZFNMYJSQJBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-19-14(18)10-12-7-8-16-15(12)13(17)9-11-5-3-2-4-6-11/h2-6,12,15-16H,7-10H2,1H3.
What are the key properties of methyl 2-[2-(2-phenylacetyl)pyrrolidin-3-yl]acetate?
methyl 2-[2-(2-phenylacetyl)pyrrolidin-3-yl]acetate has a molecular weight of 261.32 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-phenylacetyl)pyrrolidin-3-yl]acetate is sourced from PubChem (CID 69288594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).