6-aminohexanoic acid;zinc

C6H13NO2Zn — CID 175049463

IUPAC6-aminohexanoic acid;zinc
SMILESNCCCCCC(=O)O.[Zn]
InChIInChI=1S/C6H13NO2.Zn/c7-5-3-1-2-4-6(8)9;/h1-5,7H2,(H,8,9);
InChIKeyQJMXHPRCJCYHNI-UHFFFAOYSA-N
MW196.56 g/mol
LogP0.59
Rot. Bonds5

About 6-aminohexanoic acid;zinc

6-aminohexanoic acid;zinc (PubChem CID 175049463) has the molecular formula C6H13NO2Zn and a molecular weight of 196.56 g/mol. Its IUPAC name is 6-aminohexanoic acid;zinc.

Molecular Properties

Compound Name6-aminohexanoic acid;zinc
PubChem CID175049463
Molecular FormulaC6H13NO2Zn
Molecular Weight196.56 g/mol
Exact Mass195.02
IUPAC Name6-aminohexanoic acid;zinc
SMILESNCCCCCC(=O)O.[Zn]
InChIInChI=1S/C6H13NO2.Zn/c7-5-3-1-2-4-6(8)9;/h1-5,7H2,(H,8,9);
InChIKeyQJMXHPRCJCYHNI-UHFFFAOYSA-N
XLogP0.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.56
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

heptanedioic acid;hexane-1,6-diamine
CID 174639050
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
12-aminododecanoic acid;hydrochloride
CID 12651573
azane;decanedioic acid;hexane-1,6-diamine;hexanedioic acid
CID 173314981
6-aminohexanoic acid;3-aminopropanoic acid
CID 87186200
11-aminoundecanoic acid;ethane
CID 144914161
acetylene;6-aminohexanoic acid
CID 143110448
12-aminododecanoic acid;carbamic acid
CID 157488032
6-aminohexanoic acid;ethane;molecular hydrogen
CID 143775887
alumane;6-aminohexanoic acid;zirconium;hydrochloride
CID 173334193
12-amino-7-oxododecanoic acid
CID 4206597
pentan-1-amine;tetradecanoic acid
CID 174809000

Frequently Asked Questions

What is the IUPAC name of 6-aminohexanoic acid;zinc?
The IUPAC name of 6-aminohexanoic acid;zinc (CID 175049463) is 6-aminohexanoic acid;zinc.
What is the SMILES notation for 6-aminohexanoic acid;zinc?
The canonical SMILES for 6-aminohexanoic acid;zinc is NCCCCCC(=O)O.[Zn].
What is the InChIKey of 6-aminohexanoic acid;zinc?
The InChIKey is QJMXHPRCJCYHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.Zn/c7-5-3-1-2-4-6(8)9;/h1-5,7H2,(H,8,9);.
What are the key properties of 6-aminohexanoic acid;zinc?
6-aminohexanoic acid;zinc has a molecular weight of 196.56 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexanoic acid;zinc is sourced from PubChem (CID 175049463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).