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

C17H29N3O3 — CID 100844075

IUPAC(2S)-2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C17H29N3O3/c1-13(17(22)18-9-11-23-12-10-18)19-7-3-5-15(19)16-6-4-8-20(16)14(2)21/h13,15-16H,3-12H2,1-2H3/t13-,15-,16+/m0/s1
InChIKeyZEPJAFJQOOIMOY-CWRNSKLLSA-N
MW323.44 g/mol
LogP0.71
Rot. Bonds3

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

(2S)-2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 100844075) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID100844075
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name(2S)-2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C17H29N3O3/c1-13(17(22)18-9-11-23-12-10-18)19-7-3-5-15(19)16-6-4-8-20(16)14(2)21/h13,15-16H,3-12H2,1-2H3/t13-,15-,16+/m0/s1
InChIKeyZEPJAFJQOOIMOY-CWRNSKLLSA-N
XLogP0.71
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one
CID 129426502
2-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79539704
2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-cyclopentylpropanamide
CID 56781705
2-[(2R)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 95612816
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 65320423
2-(3-acetylpiperidin-1-yl)-1-morpholin-4-ylpropan-1-one
CID 63847036
(2R)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 98765633
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-ylpropan-1-one
CID 60638552
(2S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 129446622
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
2-[1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79535811
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 100844075) is (2S)-2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one is CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@@H](C)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is ZEPJAFJQOOIMOY-CWRNSKLLSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-13(17(22)18-9-11-23-12-10-18)19-7-3-5-15(19)16-6-4-8-20(16)14(2)21/h13,15-16H,3-12H2,1-2H3/t13-,15-,16+/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
(2S)-2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 323.44 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 100844075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).