acetylene;6-aminohexanoic acid

C8H15NO2 — CID 143110448

IUPACacetylene;6-aminohexanoic acid
SMILESC#C.NCCCCCC(=O)O
InChIInChI=1S/C6H13NO2.C2H2/c7-5-3-1-2-4-6(8)9;1-2/h1-5,7H2,(H,8,9);1-2H
InChIKeyWJZLUYMKIBTKHY-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.84
Rot. Bonds5

About acetylene;6-aminohexanoic acid

acetylene;6-aminohexanoic acid (PubChem CID 143110448) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is acetylene;6-aminohexanoic acid.

Molecular Properties

Compound Nameacetylene;6-aminohexanoic acid
PubChem CID143110448
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameacetylene;6-aminohexanoic acid
SMILESC#C.NCCCCCC(=O)O
InChIInChI=1S/C6H13NO2.C2H2/c7-5-3-1-2-4-6(8)9;1-2/h1-5,7H2,(H,8,9);1-2H
InChIKeyWJZLUYMKIBTKHY-UHFFFAOYSA-N
XLogP0.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze acetylene;6-aminohexanoic acid 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

heptanedioic acid;hexane-1,6-diamine
CID 174639050
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
6-aminohexanoic acid;zinc
CID 175049463
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
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 acetylene;6-aminohexanoic acid?
The IUPAC name of acetylene;6-aminohexanoic acid (CID 143110448) is acetylene;6-aminohexanoic acid.
What is the SMILES notation for acetylene;6-aminohexanoic acid?
The canonical SMILES for acetylene;6-aminohexanoic acid is C#C.NCCCCCC(=O)O.
What is the InChIKey of acetylene;6-aminohexanoic acid?
The InChIKey is WJZLUYMKIBTKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C2H2/c7-5-3-1-2-4-6(8)9;1-2/h1-5,7H2,(H,8,9);1-2H.
What are the key properties of acetylene;6-aminohexanoic acid?
acetylene;6-aminohexanoic acid has a molecular weight of 157.21 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;6-aminohexanoic acid is sourced from PubChem (CID 143110448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).