methyl 3-[2-methoxyethyl-[2-(3-methylbutoxy)ethyl]amino]propanoate

C14H29NO4 — CID 78960557

IUPACmethyl 3-[2-methoxyethyl-[2-(3-methylbutoxy)ethyl]amino]propanoate
SMILESCOCCN(CCOCCC(C)C)CCC(=O)OC
InChIInChI=1S/C14H29NO4/c1-13(2)6-10-19-12-9-15(8-11-17-3)7-5-14(16)18-4/h13H,5-12H2,1-4H3
InChIKeyYQQSESIPJLMJNX-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.56
Rot. Bonds12

About methyl 3-[2-methoxyethyl-[2-(3-methylbutoxy)ethyl]amino]propanoate

methyl 3-[2-methoxyethyl-[2-(3-methylbutoxy)ethyl]amino]propanoate (PubChem CID 78960557) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl-[2-(3-methylbutoxy)ethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl-[2-(3-methylbutoxy)ethyl]amino]propanoate
PubChem CID78960557
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Namemethyl 3-[2-methoxyethyl-[2-(3-methylbutoxy)ethyl]amino]propanoate
SMILESCOCCN(CCOCCC(C)C)CCC(=O)OC
InChIInChI=1S/C14H29NO4/c1-13(2)6-10-19-12-9-15(8-11-17-3)7-5-14(16)18-4/h13H,5-12H2,1-4H3
InChIKeyYQQSESIPJLMJNX-UHFFFAOYSA-N
XLogP1.56
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.56
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

methyl 3-[2,2-dimethoxyethyl(2-methoxyethyl)amino]propanoate
CID 115536455
methyl 3-[(3-methoxy-3-oxopropyl)-(5-methylhexyl)amino]propanoate
CID 159622507
methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate
CID 80601723
methyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate
CID 82930234
methyl 3-[(3-methoxy-3-oxopropyl)-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]amino]propanoate
CID 153484901
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
methyl 3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2-methoxyethyl)amino]propanoate
CID 106992885
methyl 3-[2-(2-hydroxyethoxy)ethyl-[3-(methylamino)-3-oxopropyl]amino]propanoate
CID 118657519
methyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate
CID 115281495
methyl 3-[(2-hydroxy-2-methylpropyl)-(2-methoxyethyl)amino]propanoate
CID 115536395
methyl 3-[2-methoxyethyl(pent-4-ynyl)amino]propanoate
CID 112548452
methyl 2-methyl-3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanoate
CID 61066835

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl-[2-(3-methylbutoxy)ethyl]amino]propanoate?
The IUPAC name of methyl 3-[2-methoxyethyl-[2-(3-methylbutoxy)ethyl]amino]propanoate (CID 78960557) is methyl 3-[2-methoxyethyl-[2-(3-methylbutoxy)ethyl]amino]propanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl-[2-(3-methylbutoxy)ethyl]amino]propanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl-[2-(3-methylbutoxy)ethyl]amino]propanoate is COCCN(CCOCCC(C)C)CCC(=O)OC.
What is the InChIKey of methyl 3-[2-methoxyethyl-[2-(3-methylbutoxy)ethyl]amino]propanoate?
The InChIKey is YQQSESIPJLMJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-13(2)6-10-19-12-9-15(8-11-17-3)7-5-14(16)18-4/h13H,5-12H2,1-4H3.
What are the key properties of methyl 3-[2-methoxyethyl-[2-(3-methylbutoxy)ethyl]amino]propanoate?
methyl 3-[2-methoxyethyl-[2-(3-methylbutoxy)ethyl]amino]propanoate has a molecular weight of 275.39 g/mol, XLogP of 1.56, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl-[2-(3-methylbutoxy)ethyl]amino]propanoate is sourced from PubChem (CID 78960557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).