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

C13H23N3O2 — CID 62351133

IUPAC5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanoic acid
SMILESCCNC(C)(CCCn1cnc(C)c1C)C(=O)O
InChIInChI=1S/C13H23N3O2/c1-5-15-13(4,12(17)18)7-6-8-16-9-14-10(2)11(16)3/h9,15H,5-8H2,1-4H3,(H,17,18)
InChIKeyLCSDTJZANYYIME-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.73
Rot. Bonds7

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

5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanoic acid (PubChem CID 62351133) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanoic acid
PubChem CID62351133
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanoic acid
SMILESCCNC(C)(CCCn1cnc(C)c1C)C(=O)O
InChIInChI=1S/C13H23N3O2/c1-5-15-13(4,12(17)18)7-6-8-16-9-14-10(2)11(16)3/h9,15H,5-8H2,1-4H3,(H,17,18)
InChIKeyLCSDTJZANYYIME-UHFFFAOYSA-N
XLogP1.73
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanoic acid?
The IUPAC name of 5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanoic acid (CID 62351133) is 5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanoic acid.
What is the SMILES notation for 5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanoic acid?
The canonical SMILES for 5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanoic acid is CCNC(C)(CCCn1cnc(C)c1C)C(=O)O.
What is the InChIKey of 5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanoic acid?
The InChIKey is LCSDTJZANYYIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-15-13(4,12(17)18)7-6-8-16-9-14-10(2)11(16)3/h9,15H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanoic acid?
5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanoic acid has a molecular weight of 253.35 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanoic acid is sourced from PubChem (CID 62351133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).