(4-amino-3-methyloxolan-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

C12H22N2O3 — CID 104958611

IUPAC(4-amino-3-methyloxolan-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2(C)COCC2N)C[C@H](C)O1
InChIInChI=1S/C12H22N2O3/c1-8-4-14(5-9(2)17-8)11(15)12(3)7-16-6-10(12)13/h8-10H,4-7,13H2,1-3H3/t8-,9+,10?,12?
InChIKeyMNBAUDQIRXYNSY-GJYTXDDASA-N
MW242.32 g/mol
LogP-0.01
Rot. Bonds1

About (4-amino-3-methyloxolan-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

(4-amino-3-methyloxolan-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 104958611) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (4-amino-3-methyloxolan-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-3-methyloxolan-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID104958611
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(4-amino-3-methyloxolan-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2(C)COCC2N)C[C@H](C)O1
InChIInChI=1S/C12H22N2O3/c1-8-4-14(5-9(2)17-8)11(15)12(3)7-16-6-10(12)13/h8-10H,4-7,13H2,1-3H3/t8-,9+,10?,12?
InChIKeyMNBAUDQIRXYNSY-GJYTXDDASA-N
XLogP-0.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-amino-3-methyloxolan-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone with MolForge

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Related Compounds

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-3-methyloxolan-3-yl)methanone
CID 115559743
(4-amino-3-methyloxolan-3-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 66263900
(4-amino-3-methyloxolan-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 66248492
(4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 66250245
1-(4-amino-3-methyloxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 66262627
(2R,4R)-1-(4-amino-3-methyloxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79028885
8-(4-amino-3-methyloxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 66250448
1-(4-amino-3-methyloxolane-3-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 66262762
(1-aminocyclopentyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119261690
ethyl 4-amino-3-methyloxolane-3-carboxylate
CID 66250331
4-amino-N,3-dimethyl-N-propan-2-yloxolane-3-carboxamide
CID 66251169
1-(4-amino-3-methyloxolane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564903

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methyloxolan-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (4-amino-3-methyloxolan-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 104958611) is (4-amino-3-methyloxolan-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-3-methyloxolan-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (4-amino-3-methyloxolan-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)C2(C)COCC2N)C[C@H](C)O1.
What is the InChIKey of (4-amino-3-methyloxolan-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is MNBAUDQIRXYNSY-GJYTXDDASA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8-4-14(5-9(2)17-8)11(15)12(3)7-16-6-10(12)13/h8-10H,4-7,13H2,1-3H3/t8-,9+,10?,12?.
What are the key properties of (4-amino-3-methyloxolan-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
(4-amino-3-methyloxolan-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 242.32 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methyloxolan-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 104958611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).