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

C14H23N3O2 — CID 53465147

IUPAC5-amino-2-[[1-(3-methylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid
SMILESCC1CC(n2cnc(CC(CCCN)C(=O)O)c2)C1
InChIInChI=1S/C14H23N3O2/c1-10-5-13(6-10)17-8-12(16-9-17)7-11(14(18)19)3-2-4-15/h8-11,13H,2-7,15H2,1H3,(H,18,19)
InChIKeyRVVSJGCFVKMYPN-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.84
Rot. Bonds7

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

5-amino-2-[[1-(3-methylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid (PubChem CID 53465147) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-amino-2-[[1-(3-methylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[1-(3-methylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid
PubChem CID53465147
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-amino-2-[[1-(3-methylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid
SMILESCC1CC(n2cnc(CC(CCCN)C(=O)O)c2)C1
InChIInChI=1S/C14H23N3O2/c1-10-5-13(6-10)17-8-12(16-9-17)7-11(14(18)19)3-2-4-15/h8-11,13H,2-7,15H2,1H3,(H,18,19)
InChIKeyRVVSJGCFVKMYPN-UHFFFAOYSA-N
XLogP1.84
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.84
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-methylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid?
The IUPAC name of 5-amino-2-[[1-(3-methylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid (CID 53465147) is 5-amino-2-[[1-(3-methylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid.
What is the SMILES notation for 5-amino-2-[[1-(3-methylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid?
The canonical SMILES for 5-amino-2-[[1-(3-methylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid is CC1CC(n2cnc(CC(CCCN)C(=O)O)c2)C1.
What is the InChIKey of 5-amino-2-[[1-(3-methylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid?
The InChIKey is RVVSJGCFVKMYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-5-13(6-10)17-8-12(16-9-17)7-11(14(18)19)3-2-4-15/h8-11,13H,2-7,15H2,1H3,(H,18,19).
What are the key properties of 5-amino-2-[[1-(3-methylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid?
5-amino-2-[[1-(3-methylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid has a molecular weight of 265.36 g/mol, XLogP of 1.84, 7 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-methylcyclobutyl)imidazol-4-yl]methyl]pentanoic acid is sourced from PubChem (CID 53465147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).