3-[(3-amino-3-oxopropyl)-propylamino]propanamide

C9H19N3O2 — CID 11310181

IUPAC3-[(3-amino-3-oxopropyl)-propylamino]propanamide
SMILESCCCN(CCC(N)=O)CCC(N)=O
InChIInChI=1S/C9H19N3O2/c1-2-5-12(6-3-8(10)13)7-4-9(11)14/h2-7H2,1H3,(H2,10,13)(H2,11,14)
InChIKeyDKMUOHPKYYLTHJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.55
Rot. Bonds8

About 3-[(3-amino-3-oxopropyl)-propylamino]propanamide

3-[(3-amino-3-oxopropyl)-propylamino]propanamide (PubChem CID 11310181) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[(3-amino-3-oxopropyl)-propylamino]propanamide.

Molecular Properties

Compound Name3-[(3-amino-3-oxopropyl)-propylamino]propanamide
PubChem CID11310181
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-[(3-amino-3-oxopropyl)-propylamino]propanamide
SMILESCCCN(CCC(N)=O)CCC(N)=O
InChIInChI=1S/C9H19N3O2/c1-2-5-12(6-3-8(10)13)7-4-9(11)14/h2-7H2,1H3,(H2,10,13)(H2,11,14)
InChIKeyDKMUOHPKYYLTHJ-UHFFFAOYSA-N
XLogP-0.55
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3-amino-3-oxopropyl)-propylamino]propanamide 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 3-[(3-amino-3-oxopropyl)-propylamino]propanamide?
The IUPAC name of 3-[(3-amino-3-oxopropyl)-propylamino]propanamide (CID 11310181) is 3-[(3-amino-3-oxopropyl)-propylamino]propanamide.
What is the SMILES notation for 3-[(3-amino-3-oxopropyl)-propylamino]propanamide?
The canonical SMILES for 3-[(3-amino-3-oxopropyl)-propylamino]propanamide is CCCN(CCC(N)=O)CCC(N)=O.
What is the InChIKey of 3-[(3-amino-3-oxopropyl)-propylamino]propanamide?
The InChIKey is DKMUOHPKYYLTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-2-5-12(6-3-8(10)13)7-4-9(11)14/h2-7H2,1H3,(H2,10,13)(H2,11,14).
What are the key properties of 3-[(3-amino-3-oxopropyl)-propylamino]propanamide?
3-[(3-amino-3-oxopropyl)-propylamino]propanamide has a molecular weight of 201.27 g/mol, XLogP of -0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-3-oxopropyl)-propylamino]propanamide is sourced from PubChem (CID 11310181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).