(2-methyl-3-phenylpyrrolidin-3-yl) propanoate

C14H19NO2 — CID 21149689

IUPAC(2-methyl-3-phenylpyrrolidin-3-yl) propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCNC1C
InChIInChI=1S/C14H19NO2/c1-3-13(16)17-14(9-10-15-11(14)2)12-7-5-4-6-8-12/h4-8,11,15H,3,9-10H2,1-2H3
InChIKeyBLRDJWDKGIIOSB-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.22
Rot. Bonds3

About (2-methyl-3-phenylpyrrolidin-3-yl) propanoate

(2-methyl-3-phenylpyrrolidin-3-yl) propanoate (PubChem CID 21149689) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2-methyl-3-phenylpyrrolidin-3-yl) propanoate.

Molecular Properties

Compound Name(2-methyl-3-phenylpyrrolidin-3-yl) propanoate
PubChem CID21149689
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2-methyl-3-phenylpyrrolidin-3-yl) propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCNC1C
InChIInChI=1S/C14H19NO2/c1-3-13(16)17-14(9-10-15-11(14)2)12-7-5-4-6-8-12/h4-8,11,15H,3,9-10H2,1-2H3
InChIKeyBLRDJWDKGIIOSB-UHFFFAOYSA-N
XLogP2.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-phenylpyrrolidin-3-yl) propanoate?
The IUPAC name of (2-methyl-3-phenylpyrrolidin-3-yl) propanoate (CID 21149689) is (2-methyl-3-phenylpyrrolidin-3-yl) propanoate.
What is the SMILES notation for (2-methyl-3-phenylpyrrolidin-3-yl) propanoate?
The canonical SMILES for (2-methyl-3-phenylpyrrolidin-3-yl) propanoate is CCC(=O)OC1(c2ccccc2)CCNC1C.
What is the InChIKey of (2-methyl-3-phenylpyrrolidin-3-yl) propanoate?
The InChIKey is BLRDJWDKGIIOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-13(16)17-14(9-10-15-11(14)2)12-7-5-4-6-8-12/h4-8,11,15H,3,9-10H2,1-2H3.
What are the key properties of (2-methyl-3-phenylpyrrolidin-3-yl) propanoate?
(2-methyl-3-phenylpyrrolidin-3-yl) propanoate has a molecular weight of 233.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-phenylpyrrolidin-3-yl) propanoate is sourced from PubChem (CID 21149689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).