ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate

C11H23NO3 — CID 65180568

IUPACethyl 3-[3-ethoxypropyl(methyl)amino]propanoate
SMILESCCOCCCN(C)CCC(=O)OCC
InChIInChI=1S/C11H23NO3/c1-4-14-10-6-8-12(3)9-7-11(13)15-5-2/h4-10H2,1-3H3
InChIKeyVHKBQKKXVNFKSC-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.30
Rot. Bonds9

About ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate

ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate (PubChem CID 65180568) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-ethoxypropyl(methyl)amino]propanoate
PubChem CID65180568
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameethyl 3-[3-ethoxypropyl(methyl)amino]propanoate
SMILESCCOCCCN(C)CCC(=O)OCC
InChIInChI=1S/C11H23NO3/c1-4-14-10-6-8-12(3)9-7-11(13)15-5-2/h4-10H2,1-3H3
InChIKeyVHKBQKKXVNFKSC-UHFFFAOYSA-N
XLogP1.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate
CID 62012804
ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 151749760
ethyl 4-[methyl(propyl)amino]butanoate
CID 164991829
ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate
CID 19816767
ethyl 3-[methyl(pent-4-ynyl)amino]propanoate
CID 115872974
bis(3-ethoxypropyl) butanedioate
CID 101278689
diethyl pentanedioate;2-ethoxyethanol
CID 174867931
6-[2-ethoxyethyl(methyl)amino]hexanoic acid
CID 81057778
ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 62011437
ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 87322437
ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate
CID 158132975
3-[2-ethoxyethyl(methyl)amino]propanoic acid
CID 60988072

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate?
The IUPAC name of ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate (CID 65180568) is ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate?
The canonical SMILES for ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate is CCOCCCN(C)CCC(=O)OCC.
What is the InChIKey of ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate?
The InChIKey is VHKBQKKXVNFKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-14-10-6-8-12(3)9-7-11(13)15-5-2/h4-10H2,1-3H3.
What are the key properties of ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate?
ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate has a molecular weight of 217.31 g/mol, XLogP of 1.30, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate is sourced from PubChem (CID 65180568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).