methyl 2-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoate

C13H25NO3 — CID 102744546

IUPACmethyl 2-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoate
SMILESCOC(=O)C(C)CN1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C13H25NO3/c1-10(11(15)16-6)7-14-8-12(2,3)17-13(4,5)9-14/h10H,7-9H2,1-6H3
InChIKeyYWUNQRFEKYGYHD-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.68
Rot. Bonds3

About methyl 2-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoate

methyl 2-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoate (PubChem CID 102744546) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is methyl 2-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoate
PubChem CID102744546
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Namemethyl 2-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoate
SMILESCOC(=O)C(C)CN1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C13H25NO3/c1-10(11(15)16-6)7-14-8-12(2,3)17-13(4,5)9-14/h10H,7-9H2,1-6H3
InChIKeyYWUNQRFEKYGYHD-UHFFFAOYSA-N
XLogP1.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-morpholinepropionate
CID 88374
4-Morpholinepropanoic acid, alpha-methyl-, methyl ester
CID 89273
4-Morpholinepropanoic acid, methyl ester
CID 101373
Ethyl 2,6-dimethyl-4-morpholinepropionate
CID 98759
2-Methyl-3-morpholin-4-ylpropanoic acid hydrochloride
CID 6603192
2-Methyl-3-morpholin-4-ylpropanoic acid
CID 652896
Methyl 2-methyl-3-(4-morpholinyl)propanoate hydrochloride
CID 21155910
Methyl 3-morpholin-4-ylpropanoate;hydrochloride
CID 12425580
Methyl alpha-methyl-4-morpholinepropionate hydrochloride
CID 3084431
Ethyl 2-Methyl-3-morpholinopropanoate
CID 4713790
3-[Dimethyl-[2-(2-methylpropanoyloxy)ethyl]azaniumyl]propanoate
CID 139213493
Methyl 3-(2,6-dimethylmorpholin-4-yl)-2-methylpropanoate
CID 294572

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoate?
The IUPAC name of methyl 2-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoate (CID 102744546) is methyl 2-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoate?
The canonical SMILES for methyl 2-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoate is COC(=O)C(C)CN1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of methyl 2-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoate?
The InChIKey is YWUNQRFEKYGYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10(11(15)16-6)7-14-8-12(2,3)17-13(4,5)9-14/h10H,7-9H2,1-6H3.
What are the key properties of methyl 2-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoate?
methyl 2-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoate has a molecular weight of 243.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoate is sourced from PubChem (CID 102744546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).