methyl 6,6-dimethyl-4-propan-2-ylmorpholine-3-carboxylate

C11H21NO3 — CID 118118158

IUPACmethyl 6,6-dimethyl-4-propan-2-ylmorpholine-3-carboxylate
SMILESCOC(=O)C1COC(C)(C)CN1C(C)C
InChIInChI=1S/C11H21NO3/c1-8(2)12-7-11(3,4)15-6-9(12)10(13)14-5/h8-9H,6-7H2,1-5H3
InChIKeyNDWJIYROAROQFY-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.05
Rot. Bonds2

About methyl 6,6-dimethyl-4-propan-2-ylmorpholine-3-carboxylate

methyl 6,6-dimethyl-4-propan-2-ylmorpholine-3-carboxylate (PubChem CID 118118158) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 6,6-dimethyl-4-propan-2-ylmorpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6,6-dimethyl-4-propan-2-ylmorpholine-3-carboxylate
PubChem CID118118158
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 6,6-dimethyl-4-propan-2-ylmorpholine-3-carboxylate
SMILESCOC(=O)C1COC(C)(C)CN1C(C)C
InChIInChI=1S/C11H21NO3/c1-8(2)12-7-11(3,4)15-6-9(12)10(13)14-5/h8-9H,6-7H2,1-5H3
InChIKeyNDWJIYROAROQFY-UHFFFAOYSA-N
XLogP1.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-acetyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 143439103
methyl 1-[2-(2,2-dimethylmorpholin-4-yl)acetyl]aziridine-2-carboxylate
CID 89049260
4-(2-amino-3-methylbutyl)-6,6-dimethylmorpholine-3-carboxylic acid
CID 68523029
methyl (3S,7R,7aS)-7-methoxy-7,7a-dimethyl-5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c][1,3]oxazole-3-carboxylate
CID 102324737
4-[(2S)-2-(methanesulfonamido)propyl]-6,6-dimethylmorpholine-3-carboxylic acid
CID 68523816
methyl (4R)-3-hexadecanoyl-2,2-dimethyl-1,3-oxazolidine-4-carboxylate
CID 46205456
dimethyl (2R,4S)-2-propan-2-yl-1,3-oxazolidine-3,4-dicarboxylate
CID 68860687
[(2R)-4,4-difluoro-2-methoxycarbonylpyrrolidin-1-yl]-methylborinic acid
CID 140740932
benzyl (3S)-4-benzyl-6,6-dimethylmorpholine-3-carboxylate
CID 59337560
methyl (2S,5S)-5-methyl-1-propan-2-ylpyrrolidine-2-carboxylate
CID 167396219
methyl 4-[1-(carbamoylamino)-1-oxopropan-2-yl]morpholine-3-carboxylate
CID 104775016
6,6-dimethyl-4-[2-[(2,2,2-trifluoroacetyl)amino]propyl]morpholine-3-carboxylic acid
CID 87484415

Frequently Asked Questions

What is the IUPAC name of methyl 6,6-dimethyl-4-propan-2-ylmorpholine-3-carboxylate?
The IUPAC name of methyl 6,6-dimethyl-4-propan-2-ylmorpholine-3-carboxylate (CID 118118158) is methyl 6,6-dimethyl-4-propan-2-ylmorpholine-3-carboxylate.
What is the SMILES notation for methyl 6,6-dimethyl-4-propan-2-ylmorpholine-3-carboxylate?
The canonical SMILES for methyl 6,6-dimethyl-4-propan-2-ylmorpholine-3-carboxylate is COC(=O)C1COC(C)(C)CN1C(C)C.
What is the InChIKey of methyl 6,6-dimethyl-4-propan-2-ylmorpholine-3-carboxylate?
The InChIKey is NDWJIYROAROQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)12-7-11(3,4)15-6-9(12)10(13)14-5/h8-9H,6-7H2,1-5H3.
What are the key properties of methyl 6,6-dimethyl-4-propan-2-ylmorpholine-3-carboxylate?
methyl 6,6-dimethyl-4-propan-2-ylmorpholine-3-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,6-dimethyl-4-propan-2-ylmorpholine-3-carboxylate is sourced from PubChem (CID 118118158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).