2,6-diaminohexanoic acid;zinc;hydrochloride

C6H15ClN2O2Zn — CID 88512669

IUPAC2,6-diaminohexanoic acid;zinc;hydrochloride
SMILESCl.NCCCCC(N)C(=O)O.[Zn]
InChIInChI=1S/C6H14N2O2.ClH.Zn/c7-4-2-1-3-5(8)6(9)10;;/h5H,1-4,7-8H2,(H,9,10);1H;
InChIKeyAAQVSSUWJKCMTP-UHFFFAOYSA-N
MW248.04 g/mol
LogP-0.05
Rot. Bonds5

About 2,6-diaminohexanoic acid;zinc;hydrochloride

2,6-diaminohexanoic acid;zinc;hydrochloride (PubChem CID 88512669) has the molecular formula C6H15ClN2O2Zn and a molecular weight of 248.04 g/mol. Its IUPAC name is 2,6-diaminohexanoic acid;zinc;hydrochloride.

Molecular Properties

Compound Name2,6-diaminohexanoic acid;zinc;hydrochloride
PubChem CID88512669
Molecular FormulaC6H15ClN2O2Zn
Molecular Weight248.04 g/mol
Exact Mass246.01
IUPAC Name2,6-diaminohexanoic acid;zinc;hydrochloride
SMILESCl.NCCCCC(N)C(=O)O.[Zn]
InChIInChI=1S/C6H14N2O2.ClH.Zn/c7-4-2-1-3-5(8)6(9)10;;/h5H,1-4,7-8H2,(H,9,10);1H;
InChIKeyAAQVSSUWJKCMTP-UHFFFAOYSA-N
XLogP-0.05
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.04
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-diaminohexanoic acid;zinc;hydrochloride 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

tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
(2S)-2,6-bis(15N)(azanyl)hexanoic acid;dihydrochloride
CID 163409206
2-amino-6-(15N)azanylhexanoic acid;dihydrochloride
CID 45157533
2,6-diaminohexanoic acid;methane;hydrochloride
CID 175503313
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
potassium;(2S)-2,6-diaminohexanoic acid;chloride;hydrochloride
CID 161346238
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
2,13-diaminotridecanoic acid
CID 141414897
2,6-diaminohexanoic acid;titanium
CID 174642581
CID 158432126
CID 158432126
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479

Frequently Asked Questions

What is the IUPAC name of 2,6-diaminohexanoic acid;zinc;hydrochloride?
The IUPAC name of 2,6-diaminohexanoic acid;zinc;hydrochloride (CID 88512669) is 2,6-diaminohexanoic acid;zinc;hydrochloride.
What is the SMILES notation for 2,6-diaminohexanoic acid;zinc;hydrochloride?
The canonical SMILES for 2,6-diaminohexanoic acid;zinc;hydrochloride is Cl.NCCCCC(N)C(=O)O.[Zn].
What is the InChIKey of 2,6-diaminohexanoic acid;zinc;hydrochloride?
The InChIKey is AAQVSSUWJKCMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.ClH.Zn/c7-4-2-1-3-5(8)6(9)10;;/h5H,1-4,7-8H2,(H,9,10);1H;.
What are the key properties of 2,6-diaminohexanoic acid;zinc;hydrochloride?
2,6-diaminohexanoic acid;zinc;hydrochloride has a molecular weight of 248.04 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diaminohexanoic acid;zinc;hydrochloride is sourced from PubChem (CID 88512669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).