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

C14H25N3O2 — CID 55064886

IUPAC5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCc1ncn(CCCC(C)(NC(C)C)C(=O)O)c1C
InChIInChI=1S/C14H25N3O2/c1-10(2)16-14(5,13(18)19)7-6-8-17-9-15-11(3)12(17)4/h9-10,16H,6-8H2,1-5H3,(H,18,19)
InChIKeyGMFSNPRBHSNHBJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.12
Rot. Bonds7

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

5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid (PubChem CID 55064886) 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-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
PubChem CID55064886
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCc1ncn(CCCC(C)(NC(C)C)C(=O)O)c1C
InChIInChI=1S/C14H25N3O2/c1-10(2)16-14(5,13(18)19)7-6-8-17-9-15-11(3)12(17)4/h9-10,16H,6-8H2,1-5H3,(H,18,19)
InChIKeyGMFSNPRBHSNHBJ-UHFFFAOYSA-N
XLogP2.12
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid (CID 55064886) is 5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid is Cc1ncn(CCCC(C)(NC(C)C)C(=O)O)c1C.
What is the InChIKey of 5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is GMFSNPRBHSNHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(2)16-14(5,13(18)19)7-6-8-17-9-15-11(3)12(17)4/h9-10,16H,6-8H2,1-5H3,(H,18,19).
What are the key properties of 5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid?
5-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid has a molecular weight of 267.37 g/mol, XLogP of 2.12, 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-methyl-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 55064886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).