methyl 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanoate

C11H21NO3 — CID 79623724

IUPACmethyl 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanoate
SMILESCOC(=O)C(C)(C)CN1CCOCC1C
InChIInChI=1S/C11H21NO3/c1-9-7-15-6-5-12(9)8-11(2,3)10(13)14-4/h9H,5-8H2,1-4H3
InChIKeyINDKTVPWMBRPRM-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.91
Rot. Bonds3

About methyl 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanoate

methyl 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanoate (PubChem CID 79623724) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanoate
PubChem CID79623724
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanoate
SMILESCOC(=O)C(C)(C)CN1CCOCC1C
InChIInChI=1S/C11H21NO3/c1-9-7-15-6-5-12(9)8-11(2,3)10(13)14-4/h9H,5-8H2,1-4H3
InChIKeyINDKTVPWMBRPRM-UHFFFAOYSA-N
XLogP0.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,2-dimethyl-3-(1,4-oxazepan-4-yl)propanoate
CID 79620916
2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanal
CID 62278488
2-(ethylamino)-2-methyl-3-(3-methylmorpholin-4-yl)propan-1-ol
CID 64796611
methyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate
CID 79621228
methyl 2-amino-4-(3-methylmorpholin-4-yl)butanoate
CID 63029800
2-amino-2-cyclopropyl-3-(3-methylmorpholin-4-yl)propanamide
CID 63911495
methyl 2-amino-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate
CID 64711913
3-(3-methylmorpholin-4-yl)propanoic acid
CID 43542324
methyl 2,2-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoate
CID 79938716
N-tert-butyl-2-methyl-2-[(3-methylmorpholin-4-yl)methyl]pentan-1-amine
CID 62257332
methyl 3-methylmorpholine-4-carboxylate
CID 110292243
methyl 3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpropanoate
CID 79621757

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanoate (CID 79623724) is methyl 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanoate is COC(=O)C(C)(C)CN1CCOCC1C.
What is the InChIKey of methyl 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanoate?
The InChIKey is INDKTVPWMBRPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9-7-15-6-5-12(9)8-11(2,3)10(13)14-4/h9H,5-8H2,1-4H3.
What are the key properties of methyl 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanoate?
methyl 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanoate has a molecular weight of 215.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanoate is sourced from PubChem (CID 79623724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).