2-(diethylamino)ethyl 2-oxopropanoate

C9H17NO3 — CID 57301214

IUPAC2-(diethylamino)ethyl 2-oxopropanoate
SMILESCCN(CC)CCOC(=O)C(C)=O
InChIInChI=1S/C9H17NO3/c1-4-10(5-2)6-7-13-9(12)8(3)11/h4-7H2,1-3H3
InChIKeyWJIDNVZAQJPWKW-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.46
Rot. Bonds6

About 2-(diethylamino)ethyl 2-oxopropanoate

2-(diethylamino)ethyl 2-oxopropanoate (PubChem CID 57301214) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-oxopropanoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-oxopropanoate
PubChem CID57301214
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-(diethylamino)ethyl 2-oxopropanoate
SMILESCCN(CC)CCOC(=O)C(C)=O
InChIInChI=1S/C9H17NO3/c1-4-10(5-2)6-7-13-9(12)8(3)11/h4-7H2,1-3H3
InChIKeyWJIDNVZAQJPWKW-UHFFFAOYSA-N
XLogP0.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-oxopropanoate?
The IUPAC name of 2-(diethylamino)ethyl 2-oxopropanoate (CID 57301214) is 2-(diethylamino)ethyl 2-oxopropanoate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-oxopropanoate?
The canonical SMILES for 2-(diethylamino)ethyl 2-oxopropanoate is CCN(CC)CCOC(=O)C(C)=O.
What is the InChIKey of 2-(diethylamino)ethyl 2-oxopropanoate?
The InChIKey is WJIDNVZAQJPWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-10(5-2)6-7-13-9(12)8(3)11/h4-7H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 2-oxopropanoate?
2-(diethylamino)ethyl 2-oxopropanoate has a molecular weight of 187.24 g/mol, XLogP of 0.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-oxopropanoate is sourced from PubChem (CID 57301214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).