(4-methylmorpholin-2-yl) propanoate

C8H15NO3 — CID 139651013

IUPAC(4-methylmorpholin-2-yl) propanoate
SMILESCCC(=O)OC1CN(C)CCO1
InChIInChI=1S/C8H15NO3/c1-3-7(10)12-8-6-9(2)4-5-11-8/h8H,3-6H2,1-2H3
InChIKeyXCRXCUGBGDHICT-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.23
Rot. Bonds2

About (4-methylmorpholin-2-yl) propanoate

(4-methylmorpholin-2-yl) propanoate (PubChem CID 139651013) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (4-methylmorpholin-2-yl) propanoate.

Molecular Properties

Compound Name(4-methylmorpholin-2-yl) propanoate
PubChem CID139651013
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(4-methylmorpholin-2-yl) propanoate
SMILESCCC(=O)OC1CN(C)CCO1
InChIInChI=1S/C8H15NO3/c1-3-7(10)12-8-6-9(2)4-5-11-8/h8H,3-6H2,1-2H3
InChIKeyXCRXCUGBGDHICT-UHFFFAOYSA-N
XLogP0.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylmorpholin-2-yl) 3,3-diphenylpropanoate
CID 162811755
methyl 2-[(4-methylmorpholine-2-carbonyl)amino]acetate
CID 123485121
azane;(2-methylmorpholin-4-yl) propanoate
CID 174846679
(4,4-dimethyl-1,3-oxazolidin-2-yl) propanoate
CID 139301428
ethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate
CID 78942696
(4-ethylmorpholin-2-yl) 2-phenylacetate
CID 142769710
(4-methylmorpholin-2-yl) 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 142793711
(2S)-2,4-dimethylmorpholine;propane
CID 178115221
(4-methylmorpholine-2-carbonyl)-λ2-stannane
CID 174736409
1-(4-methylmorpholin-2-yl)tridecan-1-one
CID 79077559
2-methyl-1-(4-methylmorpholin-2-yl)pentan-1-one
CID 107896344
2-fluoro-4-methylmorpholine
CID 86015545

Frequently Asked Questions

What is the IUPAC name of (4-methylmorpholin-2-yl) propanoate?
The IUPAC name of (4-methylmorpholin-2-yl) propanoate (CID 139651013) is (4-methylmorpholin-2-yl) propanoate.
What is the SMILES notation for (4-methylmorpholin-2-yl) propanoate?
The canonical SMILES for (4-methylmorpholin-2-yl) propanoate is CCC(=O)OC1CN(C)CCO1.
What is the InChIKey of (4-methylmorpholin-2-yl) propanoate?
The InChIKey is XCRXCUGBGDHICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-7(10)12-8-6-9(2)4-5-11-8/h8H,3-6H2,1-2H3.
What are the key properties of (4-methylmorpholin-2-yl) propanoate?
(4-methylmorpholin-2-yl) propanoate has a molecular weight of 173.21 g/mol, XLogP of 0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylmorpholin-2-yl) propanoate is sourced from PubChem (CID 139651013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).