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

C11H20ClN3O2 — CID 12870512

IUPAC2-amino-8-imidazol-1-yloctanoic acid;hydrochloride
SMILESCl.NC(CCCCCCn1ccnc1)C(=O)O
InChIInChI=1S/C11H19N3O2.ClH/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);1H
InChIKeyHCVKABHICSZMIB-UHFFFAOYSA-N
MW261.75 g/mol
LogP1.67
Rot. Bonds8

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

2-amino-8-imidazol-1-yloctanoic acid;hydrochloride (PubChem CID 12870512) has the molecular formula C11H20ClN3O2 and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-amino-8-imidazol-1-yloctanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-8-imidazol-1-yloctanoic acid;hydrochloride
PubChem CID12870512
Molecular FormulaC11H20ClN3O2
Molecular Weight261.75 g/mol
Exact Mass261.12
IUPAC Name2-amino-8-imidazol-1-yloctanoic acid;hydrochloride
SMILESCl.NC(CCCCCCn1ccnc1)C(=O)O
InChIInChI=1S/C11H19N3O2.ClH/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);1H
InChIKeyHCVKABHICSZMIB-UHFFFAOYSA-N
XLogP1.67
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 51.67
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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Related Compounds

1H-Imidazole-1-octanoic acid
CID 125737
8-Imidazol-1-yloctanoic acid hydrochloride
CID 12870425
(2S)-2-amino-5-(2-aminoimidazol-1-yl)pentanoic Acid
CID 10241837
8-Imidazol-1-yl-2-methyloctanoic acid;hydrochloride
CID 12870427
1-(7-Carboxy-7-hydroxyheptyl)imidazole hydrochloride
CID 12870431
8-Imidazol-1-yl-2,2-dimethyloctanoic acid;hydrochloride
CID 12870455
8-Imidazol-1-yl-8-methylnonanoic acid;hydrochloride
CID 12870496
8-Imidazol-1-yl-4,4-dimethyloctanoic acid;hydrochloride
CID 12870498
1-(7-Carboxy-7-chloroheptyl)imidazole hydrochloride
CID 12870510
7-Imidazol-1-ylheptanoic acid;hydrochloride
CID 12870526
N-(12-(1H-imidazol-1-yl)dodecanoyl)-L-leucine
CID 46937122
10-(1H-imidazol-1-yl)decanoic acid
CID 12803316

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-imidazol-1-yloctanoic acid;hydrochloride?
The IUPAC name of 2-amino-8-imidazol-1-yloctanoic acid;hydrochloride (CID 12870512) is 2-amino-8-imidazol-1-yloctanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-8-imidazol-1-yloctanoic acid;hydrochloride?
The canonical SMILES for 2-amino-8-imidazol-1-yloctanoic acid;hydrochloride is Cl.NC(CCCCCCn1ccnc1)C(=O)O.
What is the InChIKey of 2-amino-8-imidazol-1-yloctanoic acid;hydrochloride?
The InChIKey is HCVKABHICSZMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2.ClH/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);1H.
What are the key properties of 2-amino-8-imidazol-1-yloctanoic acid;hydrochloride?
2-amino-8-imidazol-1-yloctanoic acid;hydrochloride has a molecular weight of 261.75 g/mol, XLogP of 1.67, 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;hydrochloride is sourced from PubChem (CID 12870512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).