ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoate

C11H21NO3 — CID 25113400

IUPACethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoate
SMILESCCOC(=O)CCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H21NO3/c1-4-14-11(13)5-6-12-7-9(2)15-10(3)8-12/h9-10H,4-8H2,1-3H3/t9-,10+
InChIKeyPQHKGZQMAHHJTD-AOOOYVTPSA-N
MW215.29 g/mol
LogP1.05
Rot. Bonds4

About ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoate

ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoate (PubChem CID 25113400) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoate
PubChem CID25113400
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoate
SMILESCCOC(=O)CCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H21NO3/c1-4-14-11(13)5-6-12-7-9(2)15-10(3)8-12/h9-10H,4-8H2,1-3H3/t9-,10+
InChIKeyPQHKGZQMAHHJTD-AOOOYVTPSA-N
XLogP1.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate
CID 104960242
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoic acid
CID 7258532
ethyl 3-[3-(3-ethoxy-3-oxopropyl)imidazolidin-1-yl]propanoate
CID 139659008
ethyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(propylamino)butanoate
CID 104960241
ethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate
CID 63027402
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid
CID 27351748
ethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
CID 63164459
ethyl 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetate
CID 7027814
ethyl 3-[7-(3-ethoxy-3-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoate
CID 132559455
ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate
CID 43365504
ethyl N-[3-(2,6-dimethylmorpholin-4-yl)propylcarbamothioyl]carbamate
CID 2824618
ethyl 5-amino-1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-ethylpyrazole-4-carboxylate
CID 135371071

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoate?
The IUPAC name of ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoate (CID 25113400) is ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoate?
The canonical SMILES for ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoate is CCOC(=O)CCN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoate?
The InChIKey is PQHKGZQMAHHJTD-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-14-11(13)5-6-12-7-9(2)15-10(3)8-12/h9-10H,4-8H2,1-3H3/t9-,10+.
What are the key properties of ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoate?
ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoate has a molecular weight of 215.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoate is sourced from PubChem (CID 25113400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).