ethyl 2-(diethylamino)propanoate

C9H19NO2 — CID 13010788

IUPACethyl 2-(diethylamino)propanoate
SMILESCCOC(=O)C(C)N(CC)CC
InChIInChI=1S/C9H19NO2/c1-5-10(6-2)8(4)9(11)12-7-3/h8H,5-7H2,1-4H3
InChIKeyLLPAFEBSSXDCES-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.28
Rot. Bonds5

About ethyl 2-(diethylamino)propanoate

ethyl 2-(diethylamino)propanoate (PubChem CID 13010788) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethyl 2-(diethylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(diethylamino)propanoate
PubChem CID13010788
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethyl 2-(diethylamino)propanoate
SMILESCCOC(=O)C(C)N(CC)CC
InChIInChI=1S/C9H19NO2/c1-5-10(6-2)8(4)9(11)12-7-3/h8H,5-7H2,1-4H3
InChIKeyLLPAFEBSSXDCES-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(diethylamino)propanoate?
The IUPAC name of ethyl 2-(diethylamino)propanoate (CID 13010788) is ethyl 2-(diethylamino)propanoate.
What is the SMILES notation for ethyl 2-(diethylamino)propanoate?
The canonical SMILES for ethyl 2-(diethylamino)propanoate is CCOC(=O)C(C)N(CC)CC.
What is the InChIKey of ethyl 2-(diethylamino)propanoate?
The InChIKey is LLPAFEBSSXDCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-10(6-2)8(4)9(11)12-7-3/h8H,5-7H2,1-4H3.
What are the key properties of ethyl 2-(diethylamino)propanoate?
ethyl 2-(diethylamino)propanoate has a molecular weight of 173.26 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(diethylamino)propanoate is sourced from PubChem (CID 13010788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).