methyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate

C11H21NO3 — CID 104959277

IUPACmethyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate
SMILESCOC(=O)CC(C)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H21NO3/c1-8(5-11(13)14-4)12-6-9(2)15-10(3)7-12/h8-10H,5-7H2,1-4H3/t8?,9-,10+
InChIKeyRTJUASCTFYBANJ-PBINXNQUSA-N
MW215.29 g/mol
LogP1.05
Rot. Bonds3

About methyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate

methyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate (PubChem CID 104959277) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate.

Molecular Properties

Compound Namemethyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate
PubChem CID104959277
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate
SMILESCOC(=O)CC(C)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H21NO3/c1-8(5-11(13)14-4)12-6-9(2)15-10(3)7-12/h8-10H,5-7H2,1-4H3/t8?,9-,10+
InChIKeyRTJUASCTFYBANJ-PBINXNQUSA-N
XLogP1.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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

Analyze methyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate with MolForge

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Related Compounds

methyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate
CID 66391355
methyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoate
CID 103936716
1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea
CID 124736359
methyl 3-[(3R)-3-methylpiperazin-1-yl]butanoate
CID 104975207
methyl (3R)-3-pyrrolidin-1-ylbutanoate
CID 93106309
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-ol
CID 130503163
methyl 2-(2,6-dimethylmorpholin-4-yl)acetate
CID 22198251
methyl 3-(2-ethylmorpholin-4-yl)butanoate
CID 43562857
methyl 3-(3-methoxypiperidin-1-yl)butanoate
CID 102959580
(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-amine
CID 51670774
methyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 55159943
methyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate
CID 63609412

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate?
The IUPAC name of methyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate (CID 104959277) is methyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate.
What is the SMILES notation for methyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate?
The canonical SMILES for methyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate is COC(=O)CC(C)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of methyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate?
The InChIKey is RTJUASCTFYBANJ-PBINXNQUSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(5-11(13)14-4)12-6-9(2)15-10(3)7-12/h8-10H,5-7H2,1-4H3/t8?,9-,10+.
What are the key properties of methyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate?
methyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate has a molecular weight of 215.29 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate is sourced from PubChem (CID 104959277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).