2-acetyloxyethyl 3-[bis(2-methoxyethyl)amino]propanoate

C13H25NO6 — CID 23544922

IUPAC2-acetyloxyethyl 3-[bis(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCOC)CCC(=O)OCCOC(C)=O
InChIInChI=1S/C13H25NO6/c1-12(15)19-10-11-20-13(16)4-5-14(6-8-17-2)7-9-18-3/h4-11H2,1-3H3
InChIKeyISXSMKPNONZTHR-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.08
Rot. Bonds12

About 2-acetyloxyethyl 3-[bis(2-methoxyethyl)amino]propanoate

2-acetyloxyethyl 3-[bis(2-methoxyethyl)amino]propanoate (PubChem CID 23544922) has the molecular formula C13H25NO6 and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-acetyloxyethyl 3-[bis(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Name2-acetyloxyethyl 3-[bis(2-methoxyethyl)amino]propanoate
PubChem CID23544922
Molecular FormulaC13H25NO6
Molecular Weight291.34 g/mol
Exact Mass291.17
IUPAC Name2-acetyloxyethyl 3-[bis(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCOC)CCC(=O)OCCOC(C)=O
InChIInChI=1S/C13H25NO6/c1-12(15)19-10-11-20-13(16)4-5-14(6-8-17-2)7-9-18-3/h4-11H2,1-3H3
InChIKeyISXSMKPNONZTHR-UHFFFAOYSA-N
XLogP0.08
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 3-[bis(2-hydroperoxyethyl)amino]propanoate
CID 161393191
2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate
CID 23544927
2-methoxyethyl 3-[[3-(2-methoxyethoxy)-3-oxopropyl]-[2-(methylamino)ethyl]amino]propanoate
CID 169151963
pentadecyl 3-[bis(2-acetyloxyethyl)amino]propanoate
CID 13007527
4-[bis(2-methoxyethyl)amino]butan-2-one
CID 60649279
2-methoxyethyl 18-acetyloxyoctadecanoate
CID 22678997
2-methoxyethyl 3-[3-(dimethylamino)propyl-[3-[2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]amino]propanoate
CID 176880518
icosyl 3-[2-acetyloxyethyl(2-ethoxyethyl)amino]propanoate
CID 23544954
methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate
CID 80601723
2-[2-[2-butoxyethyl-[2-(2-methoxyethoxy)ethyl]amino]ethoxy]ethyl acetate
CID 130468380
tetradecyl 3-[3-methoxypropyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate
CID 58566875
2-acetyloxyethyl 3-aminopropanoate
CID 22321345

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl 3-[bis(2-methoxyethyl)amino]propanoate?
The IUPAC name of 2-acetyloxyethyl 3-[bis(2-methoxyethyl)amino]propanoate (CID 23544922) is 2-acetyloxyethyl 3-[bis(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for 2-acetyloxyethyl 3-[bis(2-methoxyethyl)amino]propanoate?
The canonical SMILES for 2-acetyloxyethyl 3-[bis(2-methoxyethyl)amino]propanoate is COCCN(CCOC)CCC(=O)OCCOC(C)=O.
What is the InChIKey of 2-acetyloxyethyl 3-[bis(2-methoxyethyl)amino]propanoate?
The InChIKey is ISXSMKPNONZTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO6/c1-12(15)19-10-11-20-13(16)4-5-14(6-8-17-2)7-9-18-3/h4-11H2,1-3H3.
What are the key properties of 2-acetyloxyethyl 3-[bis(2-methoxyethyl)amino]propanoate?
2-acetyloxyethyl 3-[bis(2-methoxyethyl)amino]propanoate has a molecular weight of 291.34 g/mol, XLogP of 0.08, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl 3-[bis(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 23544922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).