2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanoic acid

C11H19N3O2 — CID 62350975

IUPAC2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanoic acid
SMILESCc1ncn(CCCC(C)(N)C(=O)O)c1C
InChIInChI=1S/C11H19N3O2/c1-8-9(2)14(7-13-8)6-4-5-11(3,12)10(15)16/h7H,4-6,12H2,1-3H3,(H,15,16)
InChIKeyLLOXDBPSHUWGGC-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.08
Rot. Bonds5

About 2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanoic acid

2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanoic acid (PubChem CID 62350975) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanoic acid
PubChem CID62350975
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanoic acid
SMILESCc1ncn(CCCC(C)(N)C(=O)O)c1C
InChIInChI=1S/C11H19N3O2/c1-8-9(2)14(7-13-8)6-4-5-11(3,12)10(15)16/h7H,4-6,12H2,1-3H3,(H,15,16)
InChIKeyLLOXDBPSHUWGGC-UHFFFAOYSA-N
XLogP1.08
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanoic acid?
The IUPAC name of 2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanoic acid (CID 62350975) is 2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanoic acid.
What is the SMILES notation for 2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanoic acid?
The canonical SMILES for 2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanoic acid is Cc1ncn(CCCC(C)(N)C(=O)O)c1C.
What is the InChIKey of 2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanoic acid?
The InChIKey is LLOXDBPSHUWGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8-9(2)14(7-13-8)6-4-5-11(3,12)10(15)16/h7H,4-6,12H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanoic acid?
2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4,5-dimethylimidazol-1-yl)-2-methylpentanoic acid is sourced from PubChem (CID 62350975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).