disodium bis(8-amino-8-oxooctanoate)

C16H28N2Na2O6 — CID 158637800

IUPACdisodium bis(8-amino-8-oxooctanoate)
SMILESNC(=O)CCCCCCC(=O)[O-].NC(=O)CCCCCCC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/2C8H15NO3.2Na/c2*9-7(10)5-3-1-2-4-6-8(11)12;;/h2*1-6H2,(H2,9,10)(H,11,12);;/q;;2*+1/p-2
InChIKeyCCJFFFZDLIPVCD-UHFFFAOYSA-L
MW390.39 g/mol
LogP-6.87
Rot. Bonds14

About disodium bis(8-amino-8-oxooctanoate)

disodium bis(8-amino-8-oxooctanoate) (PubChem CID 158637800) has the molecular formula C16H28N2Na2O6 and a molecular weight of 390.39 g/mol. Its IUPAC name is disodium bis(8-amino-8-oxooctanoate).

Molecular Properties

Compound Namedisodium bis(8-amino-8-oxooctanoate)
PubChem CID158637800
Molecular FormulaC16H28N2Na2O6
Molecular Weight390.39 g/mol
Exact Mass390.17
IUPAC Namedisodium bis(8-amino-8-oxooctanoate)
SMILESNC(=O)CCCCCCC(=O)[O-].NC(=O)CCCCCCC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/2C8H15NO3.2Na/c2*9-7(10)5-3-1-2-4-6-8(11)12;;/h2*1-6H2,(H2,9,10)(H,11,12);;/q;;2*+1/p-2
InChIKeyCCJFFFZDLIPVCD-UHFFFAOYSA-L
XLogP-6.87
TPSA166.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 5-6.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze disodium bis(8-amino-8-oxooctanoate) with MolForge

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

Launch Full Analysis

Related Compounds

disodium;undecanedioate
CID 15107599
tridecanedioate
CID 6994474
dipotassium;octadecanedioate
CID 141466899
calcium decanedioate
CID 11637296
decanedioate dichloride
CID 21256251
dibismuth;tris(nonanedioate)
CID 173224370
calcium heptanedioate
CID 71587031
calcium undecanedioate
CID 140969229
docosanediamide;hexacosanediamide
CID 129179979
dodecanediamide;nonanediamide
CID 175017820
pentadecanediamide
CID 87429217
nonatetracontanediamide
CID 162734608

Frequently Asked Questions

What is the IUPAC name of disodium bis(8-amino-8-oxooctanoate)?
The IUPAC name of disodium bis(8-amino-8-oxooctanoate) (CID 158637800) is disodium bis(8-amino-8-oxooctanoate).
What is the SMILES notation for disodium bis(8-amino-8-oxooctanoate)?
The canonical SMILES for disodium bis(8-amino-8-oxooctanoate) is NC(=O)CCCCCCC(=O)[O-].NC(=O)CCCCCCC(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium bis(8-amino-8-oxooctanoate)?
The InChIKey is CCJFFFZDLIPVCD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H15NO3.2Na/c2*9-7(10)5-3-1-2-4-6-8(11)12;;/h2*1-6H2,(H2,9,10)(H,11,12);;/q;;2*+1/p-2.
What are the key properties of disodium bis(8-amino-8-oxooctanoate)?
disodium bis(8-amino-8-oxooctanoate) has a molecular weight of 390.39 g/mol, XLogP of -6.87, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium bis(8-amino-8-oxooctanoate) is sourced from PubChem (CID 158637800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).