bis(3-(dipropylamino)propanoic acid);zinc

C18H38N2O4Zn — CID 134692492

IUPACbis(3-(dipropylamino)propanoic acid);zinc
SMILESCCCN(CCC)CCC(=O)O.CCCN(CCC)CCC(=O)O.[Zn]
InChIInChI=1S/2C9H19NO2.Zn/c2*1-3-6-10(7-4-2)8-5-9(11)12;/h2*3-8H2,1-2H3,(H,11,12);
InChIKeyKURYBLKUMUGLPK-UHFFFAOYSA-N
MW411.90 g/mol
LogP3.16
Rot. Bonds14

About bis(3-(dipropylamino)propanoic acid);zinc

bis(3-(dipropylamino)propanoic acid);zinc (PubChem CID 134692492) has the molecular formula C18H38N2O4Zn and a molecular weight of 411.90 g/mol. Its IUPAC name is bis(3-(dipropylamino)propanoic acid);zinc.

Molecular Properties

Compound Namebis(3-(dipropylamino)propanoic acid);zinc
PubChem CID134692492
Molecular FormulaC18H38N2O4Zn
Molecular Weight411.90 g/mol
Exact Mass410.21
IUPAC Namebis(3-(dipropylamino)propanoic acid);zinc
SMILESCCCN(CCC)CCC(=O)O.CCCN(CCC)CCC(=O)O.[Zn]
InChIInChI=1S/2C9H19NO2.Zn/c2*1-3-6-10(7-4-2)8-5-9(11)12;/h2*3-8H2,1-2H3,(H,11,12);
InChIKeyKURYBLKUMUGLPK-UHFFFAOYSA-N
XLogP3.16
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.90
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bis(3-(dipropylamino)propanoic acid);zinc 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 bis(3-(dipropylamino)propanoic acid);zinc?
The IUPAC name of bis(3-(dipropylamino)propanoic acid);zinc (CID 134692492) is bis(3-(dipropylamino)propanoic acid);zinc.
What is the SMILES notation for bis(3-(dipropylamino)propanoic acid);zinc?
The canonical SMILES for bis(3-(dipropylamino)propanoic acid);zinc is CCCN(CCC)CCC(=O)O.CCCN(CCC)CCC(=O)O.[Zn].
What is the InChIKey of bis(3-(dipropylamino)propanoic acid);zinc?
The InChIKey is KURYBLKUMUGLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H19NO2.Zn/c2*1-3-6-10(7-4-2)8-5-9(11)12;/h2*3-8H2,1-2H3,(H,11,12);.
What are the key properties of bis(3-(dipropylamino)propanoic acid);zinc?
bis(3-(dipropylamino)propanoic acid);zinc has a molecular weight of 411.90 g/mol, XLogP of 3.16, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-(dipropylamino)propanoic acid);zinc is sourced from PubChem (CID 134692492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).