methyl 3-[2,2-dimethoxyethyl(2-methoxyethyl)amino]propanoate

C11H23NO5 — CID 115536455

IUPACmethyl 3-[2,2-dimethoxyethyl(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)CC(OC)OC
InChIInChI=1S/C11H23NO5/c1-14-8-7-12(6-5-10(13)15-2)9-11(16-3)17-4/h11H,5-9H2,1-4H3
InChIKeyIEOOCVTVNPIUJX-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.12
Rot. Bonds10

About methyl 3-[2,2-dimethoxyethyl(2-methoxyethyl)amino]propanoate

methyl 3-[2,2-dimethoxyethyl(2-methoxyethyl)amino]propanoate (PubChem CID 115536455) has the molecular formula C11H23NO5 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 3-[2,2-dimethoxyethyl(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2,2-dimethoxyethyl(2-methoxyethyl)amino]propanoate
PubChem CID115536455
Molecular FormulaC11H23NO5
Molecular Weight249.31 g/mol
Exact Mass249.16
IUPAC Namemethyl 3-[2,2-dimethoxyethyl(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)CC(OC)OC
InChIInChI=1S/C11H23NO5/c1-14-8-7-12(6-5-10(13)15-2)9-11(16-3)17-4/h11H,5-9H2,1-4H3
InChIKeyIEOOCVTVNPIUJX-UHFFFAOYSA-N
XLogP0.12
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate
CID 82930234
methyl 3-[2-methoxyethyl-[2-(3-methylbutoxy)ethyl]amino]propanoate
CID 78960557
methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate
CID 80601723
methyl 3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2-methoxyethyl)amino]propanoate
CID 106992885
methyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate
CID 78959230
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-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
1-(2,2-dimethoxyethyl)-1-(2-methoxyethyl)-3-methylurea
CID 91137504
methyl 3-[2-methoxyethyl(pent-4-ynyl)amino]propanoate
CID 112548452
methyl 3-[2-acetyloxypropyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 175721760
methyl 3-[2-[2-ethylbutyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 88907395

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2,2-dimethoxyethyl(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[2,2-dimethoxyethyl(2-methoxyethyl)amino]propanoate (CID 115536455) is methyl 3-[2,2-dimethoxyethyl(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2,2-dimethoxyethyl(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[2,2-dimethoxyethyl(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)CC(OC)OC.
What is the InChIKey of methyl 3-[2,2-dimethoxyethyl(2-methoxyethyl)amino]propanoate?
The InChIKey is IEOOCVTVNPIUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5/c1-14-8-7-12(6-5-10(13)15-2)9-11(16-3)17-4/h11H,5-9H2,1-4H3.
What are the key properties of methyl 3-[2,2-dimethoxyethyl(2-methoxyethyl)amino]propanoate?
methyl 3-[2,2-dimethoxyethyl(2-methoxyethyl)amino]propanoate has a molecular weight of 249.31 g/mol, XLogP of 0.12, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2,2-dimethoxyethyl(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 115536455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).