2-aminooct-7-enoic acid;hydrochloride

C8H16ClNO2 — CID 178200052

IUPAC2-aminooct-7-enoic acid;hydrochloride
SMILESC=CCCCCC(N)C(=O)O.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-2-3-4-5-6-7(9)8(10)11;/h2,7H,1,3-6,9H2,(H,10,11);1H
InChIKeyDXQAKBDZKRVWNX-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.57
Rot. Bonds6

About 2-aminooct-7-enoic acid;hydrochloride

2-aminooct-7-enoic acid;hydrochloride (PubChem CID 178200052) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 2-aminooct-7-enoic acid;hydrochloride.

Molecular Properties

Compound Name2-aminooct-7-enoic acid;hydrochloride
PubChem CID178200052
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name2-aminooct-7-enoic acid;hydrochloride
SMILESC=CCCCCC(N)C(=O)O.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-2-3-4-5-6-7(9)8(10)11;/h2,7H,1,3-6,9H2,(H,10,11);1H
InChIKeyDXQAKBDZKRVWNX-UHFFFAOYSA-N
XLogP1.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminooct-7-enoic acid;hydrochloride?
The IUPAC name of 2-aminooct-7-enoic acid;hydrochloride (CID 178200052) is 2-aminooct-7-enoic acid;hydrochloride.
What is the SMILES notation for 2-aminooct-7-enoic acid;hydrochloride?
The canonical SMILES for 2-aminooct-7-enoic acid;hydrochloride is C=CCCCCC(N)C(=O)O.Cl.
What is the InChIKey of 2-aminooct-7-enoic acid;hydrochloride?
The InChIKey is DXQAKBDZKRVWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-2-3-4-5-6-7(9)8(10)11;/h2,7H,1,3-6,9H2,(H,10,11);1H.
What are the key properties of 2-aminooct-7-enoic acid;hydrochloride?
2-aminooct-7-enoic acid;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooct-7-enoic acid;hydrochloride is sourced from PubChem (CID 178200052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).