propyl 4-oxo-5-(propanoylamino)pentanoate

C11H19NO4 — CID 155884508

IUPACpropyl 4-oxo-5-(propanoylamino)pentanoate
SMILESCCCOC(=O)CCC(=O)CNC(=O)CC
InChIInChI=1S/C11H19NO4/c1-3-7-16-11(15)6-5-9(13)8-12-10(14)4-2/h3-8H2,1-2H3,(H,12,14)
InChIKeyFSNDNVQIVZFSQN-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.82
Rot. Bonds8

About propyl 4-oxo-5-(propanoylamino)pentanoate

propyl 4-oxo-5-(propanoylamino)pentanoate (PubChem CID 155884508) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is propyl 4-oxo-5-(propanoylamino)pentanoate.

Molecular Properties

Compound Namepropyl 4-oxo-5-(propanoylamino)pentanoate
PubChem CID155884508
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namepropyl 4-oxo-5-(propanoylamino)pentanoate
SMILESCCCOC(=O)CCC(=O)CNC(=O)CC
InChIInChI=1S/C11H19NO4/c1-3-7-16-11(15)6-5-9(13)8-12-10(14)4-2/h3-8H2,1-2H3,(H,12,14)
InChIKeyFSNDNVQIVZFSQN-UHFFFAOYSA-N
XLogP0.82
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propyl 4-oxo-5-(propanoylamino)pentanoate 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 propyl 4-oxo-5-(propanoylamino)pentanoate?
The IUPAC name of propyl 4-oxo-5-(propanoylamino)pentanoate (CID 155884508) is propyl 4-oxo-5-(propanoylamino)pentanoate.
What is the SMILES notation for propyl 4-oxo-5-(propanoylamino)pentanoate?
The canonical SMILES for propyl 4-oxo-5-(propanoylamino)pentanoate is CCCOC(=O)CCC(=O)CNC(=O)CC.
What is the InChIKey of propyl 4-oxo-5-(propanoylamino)pentanoate?
The InChIKey is FSNDNVQIVZFSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-7-16-11(15)6-5-9(13)8-12-10(14)4-2/h3-8H2,1-2H3,(H,12,14).
What are the key properties of propyl 4-oxo-5-(propanoylamino)pentanoate?
propyl 4-oxo-5-(propanoylamino)pentanoate has a molecular weight of 229.28 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-oxo-5-(propanoylamino)pentanoate is sourced from PubChem (CID 155884508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).