(3,3-dimethylpyrrolidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone

C12H22N2O2 — CID 120932229

IUPAC(3,3-dimethylpyrrolidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCC(C)(C)C1
InChIInChI=1S/C12H22N2O2/c1-9-10(13-5-7-16-9)11(15)14-6-4-12(2,3)8-14/h9-10,13H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyDEZDITGJTQOEGM-ZJUUUORDSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds1

About (3,3-dimethylpyrrolidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone

(3,3-dimethylpyrrolidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone (PubChem CID 120932229) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (3,3-dimethylpyrrolidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone.

Molecular Properties

Compound Name(3,3-dimethylpyrrolidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
PubChem CID120932229
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(3,3-dimethylpyrrolidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCC(C)(C)C1
InChIInChI=1S/C12H22N2O2/c1-9-10(13-5-7-16-9)11(15)14-6-4-12(2,3)8-14/h9-10,13H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyDEZDITGJTQOEGM-ZJUUUORDSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-azaspiro[3.4]octan-6-yl-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120933189
1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120916623
[(2R,3S)-2-methylmorpholin-3-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone
CID 120935607
[(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 120930831
4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-2-one
CID 120918415
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120932585
[2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120932154
(4-tert-butylpiperidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120929521
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120919129
[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120938754
2-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]acetamide
CID 120924842
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120942235

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpyrrolidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The IUPAC name of (3,3-dimethylpyrrolidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone (CID 120932229) is (3,3-dimethylpyrrolidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone.
What is the SMILES notation for (3,3-dimethylpyrrolidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The canonical SMILES for (3,3-dimethylpyrrolidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone is C[C@H]1OCCN[C@@H]1C(=O)N1CCC(C)(C)C1.
What is the InChIKey of (3,3-dimethylpyrrolidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The InChIKey is DEZDITGJTQOEGM-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-10(13-5-7-16-9)11(15)14-6-4-12(2,3)8-14/h9-10,13H,4-8H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of (3,3-dimethylpyrrolidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
(3,3-dimethylpyrrolidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone has a molecular weight of 226.32 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpyrrolidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone is sourced from PubChem (CID 120932229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).