(2S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylpropan-1-one

C17H31N3O2 — CID 129446622

IUPAC(2S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylpropan-1-one
SMILESCCN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H](C)N1CCOCC1
InChIInChI=1S/C17H31N3O2/c1-3-18-8-4-6-15(18)16-7-5-9-20(16)17(21)14(2)19-10-12-22-13-11-19/h14-16H,3-13H2,1-2H3/t14-,15+,16+/m0/s1
InChIKeyPYDOWJLXJLTPLZ-ARFHVFGLSA-N
MW309.45 g/mol
LogP1.18
Rot. Bonds4

About (2S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylpropan-1-one

(2S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylpropan-1-one (PubChem CID 129446622) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylpropan-1-one
PubChem CID129446622
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name(2S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylpropan-1-one
SMILESCCN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H](C)N1CCOCC1
InChIInChI=1S/C17H31N3O2/c1-3-18-8-4-6-15(18)16-7-5-9-20(16)17(21)14(2)19-10-12-22-13-11-19/h14-16H,3-13H2,1-2H3/t14-,15+,16+/m0/s1
InChIKeyPYDOWJLXJLTPLZ-ARFHVFGLSA-N
XLogP1.18
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylpropan-1-one (CID 129446622) is (2S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylpropan-1-one is CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H](C)N1CCOCC1.
What is the InChIKey of (2S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylpropan-1-one?
The InChIKey is PYDOWJLXJLTPLZ-ARFHVFGLSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-3-18-8-4-6-15(18)16-7-5-9-20(16)17(21)14(2)19-10-12-22-13-11-19/h14-16H,3-13H2,1-2H3/t14-,15+,16+/m0/s1.
What are the key properties of (2S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylpropan-1-one?
(2S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylpropan-1-one has a molecular weight of 309.45 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 129446622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).