ethyl 3-(methylamino)-4-oxopentanoate

C8H15NO3 — CID 82322176

IUPACethyl 3-(methylamino)-4-oxopentanoate
SMILESCCOC(=O)CC(NC)C(C)=O
InChIInChI=1S/C8H15NO3/c1-4-12-8(11)5-7(9-3)6(2)10/h7,9H,4-5H2,1-3H3
InChIKeyUAABPENFRIJNJF-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.12
Rot. Bonds5

About ethyl 3-(methylamino)-4-oxopentanoate

ethyl 3-(methylamino)-4-oxopentanoate (PubChem CID 82322176) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl 3-(methylamino)-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 3-(methylamino)-4-oxopentanoate
PubChem CID82322176
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl 3-(methylamino)-4-oxopentanoate
SMILESCCOC(=O)CC(NC)C(C)=O
InChIInChI=1S/C8H15NO3/c1-4-12-8(11)5-7(9-3)6(2)10/h7,9H,4-5H2,1-3H3
InChIKeyUAABPENFRIJNJF-UHFFFAOYSA-N
XLogP0.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methylamino)-4-oxopentanoate?
The IUPAC name of ethyl 3-(methylamino)-4-oxopentanoate (CID 82322176) is ethyl 3-(methylamino)-4-oxopentanoate.
What is the SMILES notation for ethyl 3-(methylamino)-4-oxopentanoate?
The canonical SMILES for ethyl 3-(methylamino)-4-oxopentanoate is CCOC(=O)CC(NC)C(C)=O.
What is the InChIKey of ethyl 3-(methylamino)-4-oxopentanoate?
The InChIKey is UAABPENFRIJNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-12-8(11)5-7(9-3)6(2)10/h7,9H,4-5H2,1-3H3.
What are the key properties of ethyl 3-(methylamino)-4-oxopentanoate?
ethyl 3-(methylamino)-4-oxopentanoate has a molecular weight of 173.21 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methylamino)-4-oxopentanoate is sourced from PubChem (CID 82322176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).