methyl 3-[3,3-diethoxypropyl(ethyl)amino]propanoate

C13H27NO4 — CID 81090824

IUPACmethyl 3-[3,3-diethoxypropyl(ethyl)amino]propanoate
SMILESCCOC(CCN(CC)CCC(=O)OC)OCC
InChIInChI=1S/C13H27NO4/c1-5-14(10-8-12(15)16-4)11-9-13(17-6-2)18-7-3/h13H,5-11H2,1-4H3
InChIKeyOSCAIYKTWKISHU-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.66
Rot. Bonds11

About methyl 3-[3,3-diethoxypropyl(ethyl)amino]propanoate

methyl 3-[3,3-diethoxypropyl(ethyl)amino]propanoate (PubChem CID 81090824) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is methyl 3-[3,3-diethoxypropyl(ethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[3,3-diethoxypropyl(ethyl)amino]propanoate
PubChem CID81090824
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Namemethyl 3-[3,3-diethoxypropyl(ethyl)amino]propanoate
SMILESCCOC(CCN(CC)CCC(=O)OC)OCC
InChIInChI=1S/C13H27NO4/c1-5-14(10-8-12(15)16-4)11-9-13(17-6-2)18-7-3/h13H,5-11H2,1-4H3
InChIKeyOSCAIYKTWKISHU-UHFFFAOYSA-N
XLogP1.66
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate
CID 62026208
3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine
CID 63698274
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-[but-3-ynyl(ethyl)amino]propanoate
CID 62027913
methyl 3-[ethyl(pent-3-ynyl)amino]propanoate
CID 104746316
N-(3,3-diethoxypropyl)-N-ethyl-2-methylpropan-1-amine
CID 63627903
methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate
CID 62026400
methyl 3-[ethyl(hydroxy)amino]propanoate
CID 131223407
3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid
CID 172719871
methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 62028503
methyl 3-[2-[2-[2-[2-[bis(3-oxo-3-tridecoxypropyl)amino]ethyl-ethylamino]ethyl-ethylamino]ethyl-ethylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate
CID 90207758
methyl 3-[(3-methoxy-3-oxopropyl)-(5-methylhexyl)amino]propanoate
CID 159622507

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3,3-diethoxypropyl(ethyl)amino]propanoate?
The IUPAC name of methyl 3-[3,3-diethoxypropyl(ethyl)amino]propanoate (CID 81090824) is methyl 3-[3,3-diethoxypropyl(ethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[3,3-diethoxypropyl(ethyl)amino]propanoate?
The canonical SMILES for methyl 3-[3,3-diethoxypropyl(ethyl)amino]propanoate is CCOC(CCN(CC)CCC(=O)OC)OCC.
What is the InChIKey of methyl 3-[3,3-diethoxypropyl(ethyl)amino]propanoate?
The InChIKey is OSCAIYKTWKISHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-5-14(10-8-12(15)16-4)11-9-13(17-6-2)18-7-3/h13H,5-11H2,1-4H3.
What are the key properties of methyl 3-[3,3-diethoxypropyl(ethyl)amino]propanoate?
methyl 3-[3,3-diethoxypropyl(ethyl)amino]propanoate has a molecular weight of 261.36 g/mol, XLogP of 1.66, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3,3-diethoxypropyl(ethyl)amino]propanoate is sourced from PubChem (CID 81090824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).