2-aminooct-7-enoic acid

C8H15NO2 — CID 52911091

IUPAC2-aminooct-7-enoic acid
SMILESC=CCCCCC(N)C(=O)O
InChIInChI=1S/C8H15NO2/c1-2-3-4-5-6-7(9)8(10)11/h2,7H,1,3-6,9H2,(H,10,11)
InChIKeyVXVRWMRIUKRFMP-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.14
Rot. Bonds6

About 2-aminooct-7-enoic acid

2-aminooct-7-enoic acid (PubChem CID 52911091) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-aminooct-7-enoic acid.

Molecular Properties

Compound Name2-aminooct-7-enoic acid
PubChem CID52911091
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-aminooct-7-enoic acid
SMILESC=CCCCCC(N)C(=O)O
InChIInChI=1S/C8H15NO2/c1-2-3-4-5-6-7(9)8(10)11/h2,7H,1,3-6,9H2,(H,10,11)
InChIKeyVXVRWMRIUKRFMP-UHFFFAOYSA-N
XLogP1.14
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.14
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?
The IUPAC name of 2-aminooct-7-enoic acid (CID 52911091) is 2-aminooct-7-enoic acid.
What is the SMILES notation for 2-aminooct-7-enoic acid?
The canonical SMILES for 2-aminooct-7-enoic acid is C=CCCCCC(N)C(=O)O.
What is the InChIKey of 2-aminooct-7-enoic acid?
The InChIKey is VXVRWMRIUKRFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-3-4-5-6-7(9)8(10)11/h2,7H,1,3-6,9H2,(H,10,11).
What are the key properties of 2-aminooct-7-enoic acid?
2-aminooct-7-enoic acid has a molecular weight of 157.21 g/mol, XLogP of 1.14, 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 is sourced from PubChem (CID 52911091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).