azane;(2-methylmorpholin-4-yl) propanoate

C8H18N2O3 — CID 174846679

IUPACazane;(2-methylmorpholin-4-yl) propanoate
SMILESCCC(=O)ON1CCOC(C)C1.N
InChIInChI=1S/C8H15NO3.H3N/c1-3-8(10)12-9-4-5-11-7(2)6-9;/h7H,3-6H2,1-2H3;1H3
InChIKeyUQGOWBLLQDFOIM-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.74
Rot. Bonds2

About azane;(2-methylmorpholin-4-yl) propanoate

azane;(2-methylmorpholin-4-yl) propanoate (PubChem CID 174846679) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is azane;(2-methylmorpholin-4-yl) propanoate.

Molecular Properties

Compound Nameazane;(2-methylmorpholin-4-yl) propanoate
PubChem CID174846679
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Nameazane;(2-methylmorpholin-4-yl) propanoate
SMILESCCC(=O)ON1CCOC(C)C1.N
InChIInChI=1S/C8H15NO3.H3N/c1-3-8(10)12-9-4-5-11-7(2)6-9;/h7H,3-6H2,1-2H3;1H3
InChIKeyUQGOWBLLQDFOIM-UHFFFAOYSA-N
XLogP0.74
TPSA73.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylmorpholin-4-yl) 2,2,2-trifluoroacetate
CID 68841732
(4-methylmorpholin-2-yl) propanoate
CID 139651013
methyl 2-[(2S)-2-methylmorpholin-4-yl]acetate
CID 28880549
ethyl 2-(2-methylmorpholin-4-yl)-2-oxoacetate
CID 60893749
2-methylmorpholine-4-carboperoxoic acid
CID 175134730
N-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]propanamide
CID 71113606
ethane;ethyl 2-methylmorpholine-4-carboxylate;1-(2-methylmorpholin-4-yl)ethanone
CID 142506690
2-(ethylamino)-2-methyl-1-(2-methylmorpholin-4-yl)propan-1-one
CID 62833188
2-ethyl-2-(2-methylmorpholin-4-yl)butanoic acid
CID 82238422
N-ethyl-N,2-dimethylmorpholine-4-carboxamide
CID 116653749
2-hydroxy-3-(2-methylmorpholin-4-yl)propanoic acid
CID 130593590
(2S)-2,4-dimethylmorpholine;propane
CID 178115221

Frequently Asked Questions

What is the IUPAC name of azane;(2-methylmorpholin-4-yl) propanoate?
The IUPAC name of azane;(2-methylmorpholin-4-yl) propanoate (CID 174846679) is azane;(2-methylmorpholin-4-yl) propanoate.
What is the SMILES notation for azane;(2-methylmorpholin-4-yl) propanoate?
The canonical SMILES for azane;(2-methylmorpholin-4-yl) propanoate is CCC(=O)ON1CCOC(C)C1.N.
What is the InChIKey of azane;(2-methylmorpholin-4-yl) propanoate?
The InChIKey is UQGOWBLLQDFOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.H3N/c1-3-8(10)12-9-4-5-11-7(2)6-9;/h7H,3-6H2,1-2H3;1H3.
What are the key properties of azane;(2-methylmorpholin-4-yl) propanoate?
azane;(2-methylmorpholin-4-yl) propanoate has a molecular weight of 190.24 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(2-methylmorpholin-4-yl) propanoate is sourced from PubChem (CID 174846679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).