methyl 5-acetamido-4-oxopentanoate

C8H13NO4 — CID 575273

IUPACmethyl 5-acetamido-4-oxopentanoate
SMILESCOC(=O)CCC(=O)CNC(C)=O
InChIInChI=1S/C8H13NO4/c1-6(10)9-5-7(11)3-4-8(12)13-2/h3-5H2,1-2H3,(H,9,10)
InChIKeyODTLWRJIPVEESK-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.36
Rot. Bonds5

About methyl 5-acetamido-4-oxopentanoate

methyl 5-acetamido-4-oxopentanoate (PubChem CID 575273) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is methyl 5-acetamido-4-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-acetamido-4-oxopentanoate
PubChem CID575273
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Namemethyl 5-acetamido-4-oxopentanoate
SMILESCOC(=O)CCC(=O)CNC(C)=O
InChIInChI=1S/C8H13NO4/c1-6(10)9-5-7(11)3-4-8(12)13-2/h3-5H2,1-2H3,(H,9,10)
InChIKeyODTLWRJIPVEESK-UHFFFAOYSA-N
XLogP-0.36
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-acetamido-4-oxopentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetamido-4-oxopentanoate?
The IUPAC name of methyl 5-acetamido-4-oxopentanoate (CID 575273) is methyl 5-acetamido-4-oxopentanoate.
What is the SMILES notation for methyl 5-acetamido-4-oxopentanoate?
The canonical SMILES for methyl 5-acetamido-4-oxopentanoate is COC(=O)CCC(=O)CNC(C)=O.
What is the InChIKey of methyl 5-acetamido-4-oxopentanoate?
The InChIKey is ODTLWRJIPVEESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-6(10)9-5-7(11)3-4-8(12)13-2/h3-5H2,1-2H3,(H,9,10).
What are the key properties of methyl 5-acetamido-4-oxopentanoate?
methyl 5-acetamido-4-oxopentanoate has a molecular weight of 187.19 g/mol, XLogP of -0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetamido-4-oxopentanoate is sourced from PubChem (CID 575273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).