(2-methyl-3-phenyl-1-propan-2-ylpyrrolidin-3-yl) propanoate

C17H25NO2 — CID 3063960

IUPAC(2-methyl-3-phenyl-1-propan-2-ylpyrrolidin-3-yl) propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCN(C(C)C)C1C
InChIInChI=1S/C17H25NO2/c1-5-16(19)20-17(15-9-7-6-8-10-15)11-12-18(13(2)3)14(17)4/h6-10,13-14H,5,11-12H2,1-4H3
InChIKeyTZKMUTIJRAEZBG-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.34
Rot. Bonds4

About (2-methyl-3-phenyl-1-propan-2-ylpyrrolidin-3-yl) propanoate

(2-methyl-3-phenyl-1-propan-2-ylpyrrolidin-3-yl) propanoate (PubChem CID 3063960) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (2-methyl-3-phenyl-1-propan-2-ylpyrrolidin-3-yl) propanoate.

Molecular Properties

Compound Name(2-methyl-3-phenyl-1-propan-2-ylpyrrolidin-3-yl) propanoate
PubChem CID3063960
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(2-methyl-3-phenyl-1-propan-2-ylpyrrolidin-3-yl) propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCN(C(C)C)C1C
InChIInChI=1S/C17H25NO2/c1-5-16(19)20-17(15-9-7-6-8-10-15)11-12-18(13(2)3)14(17)4/h6-10,13-14H,5,11-12H2,1-4H3
InChIKeyTZKMUTIJRAEZBG-UHFFFAOYSA-N
XLogP3.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-phenyl-1-propan-2-ylpyrrolidin-3-yl) propanoate?
The IUPAC name of (2-methyl-3-phenyl-1-propan-2-ylpyrrolidin-3-yl) propanoate (CID 3063960) is (2-methyl-3-phenyl-1-propan-2-ylpyrrolidin-3-yl) propanoate.
What is the SMILES notation for (2-methyl-3-phenyl-1-propan-2-ylpyrrolidin-3-yl) propanoate?
The canonical SMILES for (2-methyl-3-phenyl-1-propan-2-ylpyrrolidin-3-yl) propanoate is CCC(=O)OC1(c2ccccc2)CCN(C(C)C)C1C.
What is the InChIKey of (2-methyl-3-phenyl-1-propan-2-ylpyrrolidin-3-yl) propanoate?
The InChIKey is TZKMUTIJRAEZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-16(19)20-17(15-9-7-6-8-10-15)11-12-18(13(2)3)14(17)4/h6-10,13-14H,5,11-12H2,1-4H3.
What are the key properties of (2-methyl-3-phenyl-1-propan-2-ylpyrrolidin-3-yl) propanoate?
(2-methyl-3-phenyl-1-propan-2-ylpyrrolidin-3-yl) propanoate has a molecular weight of 275.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-phenyl-1-propan-2-ylpyrrolidin-3-yl) propanoate is sourced from PubChem (CID 3063960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).