6-amino-2-(1H-imidazol-5-yl)hexanoic acid

C9H15N3O2 — CID 10035600

IUPAC6-amino-2-(1H-imidazol-5-yl)hexanoic acid
SMILESNCCCCC(C(=O)O)c1cnc[nH]1
InChIInChI=1S/C9H15N3O2/c10-4-2-1-3-7(9(13)14)8-5-11-6-12-8/h5-7H,1-4,10H2,(H,11,12)(H,13,14)
InChIKeyATNHCKIPIWIEGH-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.71
Rot. Bonds6

About 6-amino-2-(1H-imidazol-5-yl)hexanoic acid

6-amino-2-(1H-imidazol-5-yl)hexanoic acid (PubChem CID 10035600) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 6-amino-2-(1H-imidazol-5-yl)hexanoic acid.

Molecular Properties

Compound Name6-amino-2-(1H-imidazol-5-yl)hexanoic acid
PubChem CID10035600
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name6-amino-2-(1H-imidazol-5-yl)hexanoic acid
SMILESNCCCCC(C(=O)O)c1cnc[nH]1
InChIInChI=1S/C9H15N3O2/c10-4-2-1-3-7(9(13)14)8-5-11-6-12-8/h5-7H,1-4,10H2,(H,11,12)(H,13,14)
InChIKeyATNHCKIPIWIEGH-UHFFFAOYSA-N
XLogP0.71
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 6-amino-2-(1H-imidazol-5-yl)hexanoic acid?
The IUPAC name of 6-amino-2-(1H-imidazol-5-yl)hexanoic acid (CID 10035600) is 6-amino-2-(1H-imidazol-5-yl)hexanoic acid.
What is the SMILES notation for 6-amino-2-(1H-imidazol-5-yl)hexanoic acid?
The canonical SMILES for 6-amino-2-(1H-imidazol-5-yl)hexanoic acid is NCCCCC(C(=O)O)c1cnc[nH]1.
What is the InChIKey of 6-amino-2-(1H-imidazol-5-yl)hexanoic acid?
The InChIKey is ATNHCKIPIWIEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-4-2-1-3-7(9(13)14)8-5-11-6-12-8/h5-7H,1-4,10H2,(H,11,12)(H,13,14).
What are the key properties of 6-amino-2-(1H-imidazol-5-yl)hexanoic acid?
6-amino-2-(1H-imidazol-5-yl)hexanoic acid has a molecular weight of 197.24 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(1H-imidazol-5-yl)hexanoic acid is sourced from PubChem (CID 10035600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).