ethyl 3-(diethylamino)butanoate

C10H21NO2 — CID 10679145

IUPACethyl 3-(diethylamino)butanoate
SMILESCCOC(=O)CC(C)N(CC)CC
InChIInChI=1S/C10H21NO2/c1-5-11(6-2)9(4)8-10(12)13-7-3/h9H,5-8H2,1-4H3
InChIKeyAWZMRDYLSFCXBW-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.67
Rot. Bonds6

About ethyl 3-(diethylamino)butanoate

ethyl 3-(diethylamino)butanoate (PubChem CID 10679145) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethyl 3-(diethylamino)butanoate.

Molecular Properties

Compound Nameethyl 3-(diethylamino)butanoate
PubChem CID10679145
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethyl 3-(diethylamino)butanoate
SMILESCCOC(=O)CC(C)N(CC)CC
InChIInChI=1S/C10H21NO2/c1-5-11(6-2)9(4)8-10(12)13-7-3/h9H,5-8H2,1-4H3
InChIKeyAWZMRDYLSFCXBW-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(diethylamino)butanoate?
The IUPAC name of ethyl 3-(diethylamino)butanoate (CID 10679145) is ethyl 3-(diethylamino)butanoate.
What is the SMILES notation for ethyl 3-(diethylamino)butanoate?
The canonical SMILES for ethyl 3-(diethylamino)butanoate is CCOC(=O)CC(C)N(CC)CC.
What is the InChIKey of ethyl 3-(diethylamino)butanoate?
The InChIKey is AWZMRDYLSFCXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-11(6-2)9(4)8-10(12)13-7-3/h9H,5-8H2,1-4H3.
What are the key properties of ethyl 3-(diethylamino)butanoate?
ethyl 3-(diethylamino)butanoate has a molecular weight of 187.28 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(diethylamino)butanoate is sourced from PubChem (CID 10679145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).