ethyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(propylamino)butanoate

C15H30N2O3 — CID 104960241

IUPACethyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(propylamino)butanoate
SMILESCCCNC(CCN1C[C@@H](C)O[C@@H](C)C1)C(=O)OCC
InChIInChI=1S/C15H30N2O3/c1-5-8-16-14(15(18)19-6-2)7-9-17-10-12(3)20-13(4)11-17/h12-14,16H,5-11H2,1-4H3/t12-,13+,14?
InChIKeyFYXPYOPMUTZGLX-PBWFPOADSA-N
MW286.42 g/mol
LogP1.42
Rot. Bonds8

About ethyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(propylamino)butanoate

ethyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(propylamino)butanoate (PubChem CID 104960241) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is ethyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(propylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(propylamino)butanoate
PubChem CID104960241
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nameethyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(propylamino)butanoate
SMILESCCCNC(CCN1C[C@@H](C)O[C@@H](C)C1)C(=O)OCC
InChIInChI=1S/C15H30N2O3/c1-5-8-16-14(15(18)19-6-2)7-9-17-10-12(3)20-13(4)11-17/h12-14,16H,5-11H2,1-4H3/t12-,13+,14?
InChIKeyFYXPYOPMUTZGLX-PBWFPOADSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate
CID 63027402
ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate
CID 104960242
ethyl 2-(propylamino)pentanoate
CID 21021838
methyl 4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoate
CID 63029150
ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoate
CID 25113400
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(propylamino)butanoic acid
CID 66369794
ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate
CID 63029527
methyl 4-(4-methoxypiperidin-1-yl)-2-(propylamino)butanoate
CID 63029608
ethyl 2-(methylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butanoate
CID 55145486
ethyl N-[3-(2,6-dimethylmorpholin-4-yl)propylcarbamothioyl]carbamate
CID 2824618
ethyl 2-(methylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanoate
CID 63054333
4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoic acid
CID 63028379

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(propylamino)butanoate?
The IUPAC name of ethyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(propylamino)butanoate (CID 104960241) is ethyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(propylamino)butanoate.
What is the SMILES notation for ethyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(propylamino)butanoate?
The canonical SMILES for ethyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(propylamino)butanoate is CCCNC(CCN1C[C@@H](C)O[C@@H](C)C1)C(=O)OCC.
What is the InChIKey of ethyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(propylamino)butanoate?
The InChIKey is FYXPYOPMUTZGLX-PBWFPOADSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-8-16-14(15(18)19-6-2)7-9-17-10-12(3)20-13(4)11-17/h12-14,16H,5-11H2,1-4H3/t12-,13+,14?.
What are the key properties of ethyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(propylamino)butanoate?
ethyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(propylamino)butanoate has a molecular weight of 286.42 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(propylamino)butanoate is sourced from PubChem (CID 104960241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).