ethyl 3-(diacetylamino)propanoate

C9H15NO4 — CID 13408784

IUPACethyl 3-(diacetylamino)propanoate
SMILESCCOC(=O)CCN(C(C)=O)C(C)=O
InChIInChI=1S/C9H15NO4/c1-4-14-9(13)5-6-10(7(2)11)8(3)12/h4-6H2,1-3H3
InChIKeyRWIAXWAICLQNKO-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.33
Rot. Bonds4

About ethyl 3-(diacetylamino)propanoate

ethyl 3-(diacetylamino)propanoate (PubChem CID 13408784) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is ethyl 3-(diacetylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(diacetylamino)propanoate
PubChem CID13408784
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nameethyl 3-(diacetylamino)propanoate
SMILESCCOC(=O)CCN(C(C)=O)C(C)=O
InChIInChI=1S/C9H15NO4/c1-4-14-9(13)5-6-10(7(2)11)8(3)12/h4-6H2,1-3H3
InChIKeyRWIAXWAICLQNKO-UHFFFAOYSA-N
XLogP0.33
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(diacetylamino)propanoate?
The IUPAC name of ethyl 3-(diacetylamino)propanoate (CID 13408784) is ethyl 3-(diacetylamino)propanoate.
What is the SMILES notation for ethyl 3-(diacetylamino)propanoate?
The canonical SMILES for ethyl 3-(diacetylamino)propanoate is CCOC(=O)CCN(C(C)=O)C(C)=O.
What is the InChIKey of ethyl 3-(diacetylamino)propanoate?
The InChIKey is RWIAXWAICLQNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-4-14-9(13)5-6-10(7(2)11)8(3)12/h4-6H2,1-3H3.
What are the key properties of ethyl 3-(diacetylamino)propanoate?
ethyl 3-(diacetylamino)propanoate has a molecular weight of 201.22 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(diacetylamino)propanoate is sourced from PubChem (CID 13408784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).