ethyl 3-(2-ethoxyethylamino)propanoate

C9H19NO3 — CID 43591020

IUPACethyl 3-(2-ethoxyethylamino)propanoate
SMILESCCOCCNCCC(=O)OCC
InChIInChI=1S/C9H19NO3/c1-3-12-8-7-10-6-5-9(11)13-4-2/h10H,3-8H2,1-2H3
InChIKeyRVNICXKFFGYSEB-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.57
Rot. Bonds8

About ethyl 3-(2-ethoxyethylamino)propanoate

ethyl 3-(2-ethoxyethylamino)propanoate (PubChem CID 43591020) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is ethyl 3-(2-ethoxyethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-ethoxyethylamino)propanoate
PubChem CID43591020
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nameethyl 3-(2-ethoxyethylamino)propanoate
SMILESCCOCCNCCC(=O)OCC
InChIInChI=1S/C9H19NO3/c1-3-12-8-7-10-6-5-9(11)13-4-2/h10H,3-8H2,1-2H3
InChIKeyRVNICXKFFGYSEB-UHFFFAOYSA-N
XLogP0.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
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-(octylamino)propanoate
CID 46318537
ethyl 3-[2-(tert-butylamino)ethylamino]propanoate
CID 107445555
ethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]propanoate
CID 106276054
ethyl 3-(2-isocyanoethylamino)propanoate
CID 123252749
ethyl 3-(2-phenoxyethylamino)propanoate
CID 60647928
4-(2-ethoxyethylamino)butanoic acid
CID 43457194
[methyl(4-oxobutanoyl)amino] 3-(2-ethoxyethylamino)propanoate
CID 162740365
ethyl 3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanoate
CID 62625377
ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate
CID 158132975
3-[(4-ethoxy-4-oxobutyl)amino]propanoic acid
CID 64579324
ethyl 3-(2-hydroxypropylamino)propanoate
CID 43389838
ethyl 3-(2-propylsulfonylethylamino)propanoate
CID 106723560

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-ethoxyethylamino)propanoate?
The IUPAC name of ethyl 3-(2-ethoxyethylamino)propanoate (CID 43591020) is ethyl 3-(2-ethoxyethylamino)propanoate.
What is the SMILES notation for ethyl 3-(2-ethoxyethylamino)propanoate?
The canonical SMILES for ethyl 3-(2-ethoxyethylamino)propanoate is CCOCCNCCC(=O)OCC.
What is the InChIKey of ethyl 3-(2-ethoxyethylamino)propanoate?
The InChIKey is RVNICXKFFGYSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-3-12-8-7-10-6-5-9(11)13-4-2/h10H,3-8H2,1-2H3.
What are the key properties of ethyl 3-(2-ethoxyethylamino)propanoate?
ethyl 3-(2-ethoxyethylamino)propanoate has a molecular weight of 189.25 g/mol, XLogP of 0.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-ethoxyethylamino)propanoate is sourced from PubChem (CID 43591020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).