5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)pentanoic acid

C14H25N3O2 — CID 62351134

IUPAC5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CCCn1cnc(C)c1C)C(=O)O
InChIInChI=1S/C14H25N3O2/c1-5-8-16-14(4,13(18)19)7-6-9-17-10-15-11(2)12(17)3/h10,16H,5-9H2,1-4H3,(H,18,19)
InChIKeyNXWUENCINDGGLZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.12
Rot. Bonds8

About 5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)pentanoic acid

5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)pentanoic acid (PubChem CID 62351134) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)pentanoic acid
PubChem CID62351134
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CCCn1cnc(C)c1C)C(=O)O
InChIInChI=1S/C14H25N3O2/c1-5-8-16-14(4,13(18)19)7-6-9-17-10-15-11(2)12(17)3/h10,16H,5-9H2,1-4H3,(H,18,19)
InChIKeyNXWUENCINDGGLZ-UHFFFAOYSA-N
XLogP2.12
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.12
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-methyl-2-(propylamino)pentanoic acid?
The IUPAC name of 5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)pentanoic acid (CID 62351134) is 5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)pentanoic acid.
What is the SMILES notation for 5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)pentanoic acid?
The canonical SMILES for 5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)pentanoic acid is CCCNC(C)(CCCn1cnc(C)c1C)C(=O)O.
What is the InChIKey of 5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)pentanoic acid?
The InChIKey is NXWUENCINDGGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-8-16-14(4,13(18)19)7-6-9-17-10-15-11(2)12(17)3/h10,16H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)pentanoic acid?
5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)pentanoic acid has a molecular weight of 267.37 g/mol, XLogP of 2.12, 8 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-methyl-2-(propylamino)pentanoic acid is sourced from PubChem (CID 62351134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).