ethyl 6-[(2R,5S)-2,5-dimethylmorpholin-4-yl]hexanoate

C14H27NO3 — CID 95392283

IUPACethyl 6-[(2R,5S)-2,5-dimethylmorpholin-4-yl]hexanoate
SMILESCCOC(=O)CCCCCN1C[C@@H](C)OC[C@@H]1C
InChIInChI=1S/C14H27NO3/c1-4-17-14(16)8-6-5-7-9-15-10-13(3)18-11-12(15)2/h12-13H,4-11H2,1-3H3/t12-,13+/m0/s1
InChIKeyHRXBWEAMVXKDKG-QWHCGFSZSA-N
MW257.37 g/mol
LogP2.22
Rot. Bonds7

About ethyl 6-[(2R,5S)-2,5-dimethylmorpholin-4-yl]hexanoate

ethyl 6-[(2R,5S)-2,5-dimethylmorpholin-4-yl]hexanoate (PubChem CID 95392283) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethyl 6-[(2R,5S)-2,5-dimethylmorpholin-4-yl]hexanoate.

Molecular Properties

Compound Nameethyl 6-[(2R,5S)-2,5-dimethylmorpholin-4-yl]hexanoate
PubChem CID95392283
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethyl 6-[(2R,5S)-2,5-dimethylmorpholin-4-yl]hexanoate
SMILESCCOC(=O)CCCCCN1C[C@@H](C)OC[C@@H]1C
InChIInChI=1S/C14H27NO3/c1-4-17-14(16)8-6-5-7-9-15-10-13(3)18-11-12(15)2/h12-13H,4-11H2,1-3H3/t12-,13+/m0/s1
InChIKeyHRXBWEAMVXKDKG-QWHCGFSZSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-[(2S,5S)-2,5-dimethylmorpholin-4-yl]hexanoate
CID 95392282
methyl 4-(2,5-dimethylmorpholin-4-yl)butanoate
CID 43544788
1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]octan-1-one
CID 98368513
3-(2,5-dimethylmorpholin-4-yl)propan-1-ol
CID 43430768
2-amino-4-(2,5-dimethylmorpholin-4-yl)butanamide
CID 63029627
diethyl icosanedioate
CID 5058538
ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-oxoacetate
CID 60893385
ethyl 4-[(2R)-oxiran-2-yl]butanoate
CID 10607030
diethyl hexanedioate
CID 160747628
methyl 4-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]amino]butanoate
CID 94062951
(5-methyl-4-octylmorpholin-2-yl)methanamine
CID 81217426
N-[6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-6-oxohexyl]acetamide
CID 94053945

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2R,5S)-2,5-dimethylmorpholin-4-yl]hexanoate?
The IUPAC name of ethyl 6-[(2R,5S)-2,5-dimethylmorpholin-4-yl]hexanoate (CID 95392283) is ethyl 6-[(2R,5S)-2,5-dimethylmorpholin-4-yl]hexanoate.
What is the SMILES notation for ethyl 6-[(2R,5S)-2,5-dimethylmorpholin-4-yl]hexanoate?
The canonical SMILES for ethyl 6-[(2R,5S)-2,5-dimethylmorpholin-4-yl]hexanoate is CCOC(=O)CCCCCN1C[C@@H](C)OC[C@@H]1C.
What is the InChIKey of ethyl 6-[(2R,5S)-2,5-dimethylmorpholin-4-yl]hexanoate?
The InChIKey is HRXBWEAMVXKDKG-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-17-14(16)8-6-5-7-9-15-10-13(3)18-11-12(15)2/h12-13H,4-11H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of ethyl 6-[(2R,5S)-2,5-dimethylmorpholin-4-yl]hexanoate?
ethyl 6-[(2R,5S)-2,5-dimethylmorpholin-4-yl]hexanoate has a molecular weight of 257.37 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2R,5S)-2,5-dimethylmorpholin-4-yl]hexanoate is sourced from PubChem (CID 95392283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).