2-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]propanoic acid

C14H17N3O2 — CID 119994891

IUPAC2-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C14H17N3O2/c1-10(14(18)19)17(2)9-13-15-8-12(16-13)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyDBXBNIYBUOFAOO-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.98
Rot. Bonds5

About 2-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]propanoic acid

2-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]propanoic acid (PubChem CID 119994891) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]propanoic acid
PubChem CID119994891
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C14H17N3O2/c1-10(14(18)19)17(2)9-13-15-8-12(16-13)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyDBXBNIYBUOFAOO-UHFFFAOYSA-N
XLogP1.98
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]propanoic acid (CID 119994891) is 2-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]propanoic acid is CC(C(=O)O)N(C)Cc1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]propanoic acid?
The InChIKey is DBXBNIYBUOFAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(14(18)19)17(2)9-13-15-8-12(16-13)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 2-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]propanoic acid?
2-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]propanoic acid has a molecular weight of 259.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 119994891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).