[2-methyl-1-(2-morpholin-4-ylethyl)-3-phenylpyrrolidin-3-yl] propanoate

C20H30N2O3 — CID 3053129

IUPAC[2-methyl-1-(2-morpholin-4-ylethyl)-3-phenylpyrrolidin-3-yl] propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCN(CCN2CCOCC2)C1C
InChIInChI=1S/C20H30N2O3/c1-3-19(23)25-20(18-7-5-4-6-8-18)9-10-22(17(20)2)12-11-21-13-15-24-16-14-21/h4-8,17H,3,9-16H2,1-2H3
InChIKeyBKADKDNJEYGVFJ-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.26
Rot. Bonds6

About [2-methyl-1-(2-morpholin-4-ylethyl)-3-phenylpyrrolidin-3-yl] propanoate

[2-methyl-1-(2-morpholin-4-ylethyl)-3-phenylpyrrolidin-3-yl] propanoate (PubChem CID 3053129) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is [2-methyl-1-(2-morpholin-4-ylethyl)-3-phenylpyrrolidin-3-yl] propanoate.

Molecular Properties

Compound Name[2-methyl-1-(2-morpholin-4-ylethyl)-3-phenylpyrrolidin-3-yl] propanoate
PubChem CID3053129
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name[2-methyl-1-(2-morpholin-4-ylethyl)-3-phenylpyrrolidin-3-yl] propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCN(CCN2CCOCC2)C1C
InChIInChI=1S/C20H30N2O3/c1-3-19(23)25-20(18-7-5-4-6-8-18)9-10-22(17(20)2)12-11-21-13-15-24-16-14-21/h4-8,17H,3,9-16H2,1-2H3
InChIKeyBKADKDNJEYGVFJ-UHFFFAOYSA-N
XLogP2.26
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(2-morpholin-4-ylethyl)-3-phenylpyrrolidin-3-yl] propanoate?
The IUPAC name of [2-methyl-1-(2-morpholin-4-ylethyl)-3-phenylpyrrolidin-3-yl] propanoate (CID 3053129) is [2-methyl-1-(2-morpholin-4-ylethyl)-3-phenylpyrrolidin-3-yl] propanoate.
What is the SMILES notation for [2-methyl-1-(2-morpholin-4-ylethyl)-3-phenylpyrrolidin-3-yl] propanoate?
The canonical SMILES for [2-methyl-1-(2-morpholin-4-ylethyl)-3-phenylpyrrolidin-3-yl] propanoate is CCC(=O)OC1(c2ccccc2)CCN(CCN2CCOCC2)C1C.
What is the InChIKey of [2-methyl-1-(2-morpholin-4-ylethyl)-3-phenylpyrrolidin-3-yl] propanoate?
The InChIKey is BKADKDNJEYGVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-3-19(23)25-20(18-7-5-4-6-8-18)9-10-22(17(20)2)12-11-21-13-15-24-16-14-21/h4-8,17H,3,9-16H2,1-2H3.
What are the key properties of [2-methyl-1-(2-morpholin-4-ylethyl)-3-phenylpyrrolidin-3-yl] propanoate?
[2-methyl-1-(2-morpholin-4-ylethyl)-3-phenylpyrrolidin-3-yl] propanoate has a molecular weight of 346.47 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(2-morpholin-4-ylethyl)-3-phenylpyrrolidin-3-yl] propanoate is sourced from PubChem (CID 3053129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).