amino 8-aminooctanoate

C8H18N2O2 — CID 87659694

IUPACamino 8-aminooctanoate
SMILESNCCCCCCCC(=O)ON
InChIInChI=1S/C8H18N2O2/c9-7-5-3-1-2-4-6-8(11)12-10/h1-7,9-10H2
InChIKeyQRPWDIFCBYHHMZ-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.70
Rot. Bonds7

About amino 8-aminooctanoate

amino 8-aminooctanoate (PubChem CID 87659694) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is amino 8-aminooctanoate.

Molecular Properties

Compound Nameamino 8-aminooctanoate
PubChem CID87659694
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Nameamino 8-aminooctanoate
SMILESNCCCCCCCC(=O)ON
InChIInChI=1S/C8H18N2O2/c9-7-5-3-1-2-4-6-8(11)12-10/h1-7,9-10H2
InChIKeyQRPWDIFCBYHHMZ-UHFFFAOYSA-N
XLogP0.70
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino 8-aminooctanoate?
The IUPAC name of amino 8-aminooctanoate (CID 87659694) is amino 8-aminooctanoate.
What is the SMILES notation for amino 8-aminooctanoate?
The canonical SMILES for amino 8-aminooctanoate is NCCCCCCCC(=O)ON.
What is the InChIKey of amino 8-aminooctanoate?
The InChIKey is QRPWDIFCBYHHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c9-7-5-3-1-2-4-6-8(11)12-10/h1-7,9-10H2.
What are the key properties of amino 8-aminooctanoate?
amino 8-aminooctanoate has a molecular weight of 174.24 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 8-aminooctanoate is sourced from PubChem (CID 87659694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).