methyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate

C14H27NO4 — CID 79823416

IUPACmethyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CCOCCC(C)C)CCO1
InChIInChI=1S/C14H27NO4/c1-12(2)4-7-18-8-5-15-6-9-19-13(11-15)10-14(16)17-3/h12-13H,4-11H2,1-3H3
InChIKeyGBMJYVAJXCRJQT-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.31
Rot. Bonds8

About methyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate

methyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate (PubChem CID 79823416) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is methyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate
PubChem CID79823416
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Namemethyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CCOCCC(C)C)CCO1
InChIInChI=1S/C14H27NO4/c1-12(2)4-7-18-8-5-15-6-9-19-13(11-15)10-14(16)17-3/h12-13H,4-11H2,1-3H3
InChIKeyGBMJYVAJXCRJQT-UHFFFAOYSA-N
XLogP1.31
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 167107358
methyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate
CID 79823047
methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate
CID 79822697
methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate
CID 79823228
methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate
CID 115533916
2-[4-[2-(2-methoxyethoxy)ethyl]morpholin-2-yl]acetic acid
CID 66434854
N-[[(2R)-4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]acetamide
CID 156802663
methyl 2-(4-pent-4-ynylmorpholin-2-yl)acetate
CID 112548455
methyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate
CID 79822188
methyl 2-[4-(4,4,4-trifluorobutyl)morpholin-2-yl]acetate
CID 113331103
methyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate
CID 115873221
2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid
CID 83158040

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate (CID 79823416) is methyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate is COC(=O)CC1CN(CCOCCC(C)C)CCO1.
What is the InChIKey of methyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate?
The InChIKey is GBMJYVAJXCRJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-12(2)4-7-18-8-5-15-6-9-19-13(11-15)10-14(16)17-3/h12-13H,4-11H2,1-3H3.
What are the key properties of methyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate?
methyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate has a molecular weight of 273.37 g/mol, XLogP of 1.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate is sourced from PubChem (CID 79823416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).