5-amino-2-[[1-(3-ethylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid

C15H25N3O2 — CID 53465146

IUPAC5-amino-2-[[1-(3-ethylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid
SMILESCCC1CC(n2cnc(CC(CCCN)C(=O)O)c2)C1
InChIInChI=1S/C15H25N3O2/c1-2-11-6-14(7-11)18-9-13(17-10-18)8-12(15(19)20)4-3-5-16/h9-12,14H,2-8,16H2,1H3,(H,19,20)
InChIKeyNAMYEQZWSGWUPW-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.23
Rot. Bonds8

About 5-amino-2-[[1-(3-ethylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid

5-amino-2-[[1-(3-ethylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid (PubChem CID 53465146) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-amino-2-[[1-(3-ethylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[1-(3-ethylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid
PubChem CID53465146
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name5-amino-2-[[1-(3-ethylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid
SMILESCCC1CC(n2cnc(CC(CCCN)C(=O)O)c2)C1
InChIInChI=1S/C15H25N3O2/c1-2-11-6-14(7-11)18-9-13(17-10-18)8-12(15(19)20)4-3-5-16/h9-12,14H,2-8,16H2,1H3,(H,19,20)
InChIKeyNAMYEQZWSGWUPW-UHFFFAOYSA-N
XLogP2.23
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[1-(3-ethylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid?
The IUPAC name of 5-amino-2-[[1-(3-ethylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid (CID 53465146) is 5-amino-2-[[1-(3-ethylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid.
What is the SMILES notation for 5-amino-2-[[1-(3-ethylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid?
The canonical SMILES for 5-amino-2-[[1-(3-ethylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid is CCC1CC(n2cnc(CC(CCCN)C(=O)O)c2)C1.
What is the InChIKey of 5-amino-2-[[1-(3-ethylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid?
The InChIKey is NAMYEQZWSGWUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-11-6-14(7-11)18-9-13(17-10-18)8-12(15(19)20)4-3-5-16/h9-12,14H,2-8,16H2,1H3,(H,19,20).
What are the key properties of 5-amino-2-[[1-(3-ethylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid?
5-amino-2-[[1-(3-ethylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid has a molecular weight of 279.38 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[1-(3-ethylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid is sourced from PubChem (CID 53465146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).