ethyl 2-(dipropylamino)acetate

C10H21NO2 — CID 575237

IUPACethyl 2-(dipropylamino)acetate
SMILESCCCN(CCC)CC(=O)OCC
InChIInChI=1S/C10H21NO2/c1-4-7-11(8-5-2)9-10(12)13-6-3/h4-9H2,1-3H3
InChIKeyIBXYVYNIABWHQV-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.67
Rot. Bonds7

About ethyl 2-(dipropylamino)acetate

ethyl 2-(dipropylamino)acetate (PubChem CID 575237) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethyl 2-(dipropylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(dipropylamino)acetate
PubChem CID575237
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethyl 2-(dipropylamino)acetate
SMILESCCCN(CCC)CC(=O)OCC
InChIInChI=1S/C10H21NO2/c1-4-7-11(8-5-2)9-10(12)13-6-3/h4-9H2,1-3H3
InChIKeyIBXYVYNIABWHQV-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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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Related Compounds

Methacholine Chloride
CID 6114
Methacholine
CID 1993
Glycine, N,N-dimethyl-, ethyl ester
CID 118412
Ethanol, 2,2',2''-nitrilotris-, 1,1',1''-triacetate
CID 76352
Ethanaminium, N,N,N-trimethyl-2-(1-oxopropoxy)-, iodide (1:1)
CID 75611
Methacholine bromide
CID 92754
Methacholine iodide
CID 3083639
4,4-Diethyl-2-oxomorpholin-4-ium chloride
CID 200862
Glycine, N,N-diethyl-, ethyl ester
CID 75843
2-(Diethylamino)ethyl acetate
CID 82591
Ethyl 2-Morpholinoacetate
CID 2734105
Glycine, N,N-dipentyl-, ethyl ester
CID 96116

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dipropylamino)acetate?
The IUPAC name of ethyl 2-(dipropylamino)acetate (CID 575237) is ethyl 2-(dipropylamino)acetate.
What is the SMILES notation for ethyl 2-(dipropylamino)acetate?
The canonical SMILES for ethyl 2-(dipropylamino)acetate is CCCN(CCC)CC(=O)OCC.
What is the InChIKey of ethyl 2-(dipropylamino)acetate?
The InChIKey is IBXYVYNIABWHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-7-11(8-5-2)9-10(12)13-6-3/h4-9H2,1-3H3.
What are the key properties of ethyl 2-(dipropylamino)acetate?
ethyl 2-(dipropylamino)acetate has a molecular weight of 187.28 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dipropylamino)acetate is sourced from PubChem (CID 575237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).