2-amino-8-imidazol-1-yloctanoic acid

C11H19N3O2 — CID 12870511

IUPAC2-amino-8-imidazol-1-yloctanoic acid
SMILESNC(CCCCCCn1ccnc1)C(=O)O
InChIInChI=1S/C11H19N3O2/c12-10(11(15)16)5-3-1-2-4-7-14-8-6-13-9-14/h6,8-10H,1-5,7,12H2,(H,15,16)
InChIKeyUFIGJRJJJSFBFP-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.25
Rot. Bonds8

About 2-amino-8-imidazol-1-yloctanoic acid

2-amino-8-imidazol-1-yloctanoic acid (PubChem CID 12870511) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-amino-8-imidazol-1-yloctanoic acid.

Molecular Properties

Compound Name2-amino-8-imidazol-1-yloctanoic acid
PubChem CID12870511
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-amino-8-imidazol-1-yloctanoic acid
SMILESNC(CCCCCCn1ccnc1)C(=O)O
InChIInChI=1S/C11H19N3O2/c12-10(11(15)16)5-3-1-2-4-7-14-8-6-13-9-14/h6,8-10H,1-5,7,12H2,(H,15,16)
InChIKeyUFIGJRJJJSFBFP-UHFFFAOYSA-N
XLogP1.25
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-imidazol-1-yloctanoic acid?
The IUPAC name of 2-amino-8-imidazol-1-yloctanoic acid (CID 12870511) is 2-amino-8-imidazol-1-yloctanoic acid.
What is the SMILES notation for 2-amino-8-imidazol-1-yloctanoic acid?
The canonical SMILES for 2-amino-8-imidazol-1-yloctanoic acid is NC(CCCCCCn1ccnc1)C(=O)O.
What is the InChIKey of 2-amino-8-imidazol-1-yloctanoic acid?
The InChIKey is UFIGJRJJJSFBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c12-10(11(15)16)5-3-1-2-4-7-14-8-6-13-9-14/h6,8-10H,1-5,7,12H2,(H,15,16).
What are the key properties of 2-amino-8-imidazol-1-yloctanoic acid?
2-amino-8-imidazol-1-yloctanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-imidazol-1-yloctanoic acid is sourced from PubChem (CID 12870511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).