2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone

C18H31N3O3 — CID 129426736

IUPAC2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C18H31N3O3/c1-13-10-20(11-14(2)24-13)18(23)12-19-8-4-6-16(19)17-7-5-9-21(17)15(3)22/h13-14,16-17H,4-12H2,1-3H3/t13-,14-,16-,17+/m0/s1
InChIKeyTUNVNEUDRRLJON-NXNVCVFFSA-N
MW337.46 g/mol
LogP1.10
Rot. Bonds3

About 2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone

2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone (PubChem CID 129426736) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
PubChem CID129426736
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C18H31N3O3/c1-13-10-20(11-14(2)24-13)18(23)12-19-8-4-6-16(19)17-7-5-9-21(17)15(3)22/h13-14,16-17H,4-12H2,1-3H3/t13-,14-,16-,17+/m0/s1
InChIKeyTUNVNEUDRRLJON-NXNVCVFFSA-N
XLogP1.10
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone with MolForge

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Related Compounds

2-[(2R)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 95612816
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone;hydrochloride
CID 119926112
2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 122558292
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95752296
1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785966
2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 95321191
2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
CID 129426760
2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
CID 129426759
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(2S)-2-(furan-2-yl)azepan-1-yl]ethanone
CID 124762588
1-[(2S)-2-[(2R)-1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95342506
2-[(4aS,7aR)-1-(2-hydroxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 133118358
2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 43556595

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone (CID 129426736) is 2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone is CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)N1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of 2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone?
The InChIKey is TUNVNEUDRRLJON-NXNVCVFFSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-13-10-20(11-14(2)24-13)18(23)12-19-8-4-6-16(19)17-7-5-9-21(17)15(3)22/h13-14,16-17H,4-12H2,1-3H3/t13-,14-,16-,17+/m0/s1.
What are the key properties of 2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone?
2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone has a molecular weight of 337.46 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 129426736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).