2-amino-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid

C13H15N3O2 — CID 23509804

IUPAC2-amino-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid
SMILESNC(CCc1ncc(-c2ccccc2)[nH]1)C(=O)O
InChIInChI=1S/C13H15N3O2/c14-10(13(17)18)6-7-12-15-8-11(16-12)9-4-2-1-3-5-9/h1-5,8,10H,6-7,14H2,(H,15,16)(H,17,18)
InChIKeyYYDFOPXOCYPFOE-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.42
Rot. Bonds5

About 2-amino-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid

2-amino-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid (PubChem CID 23509804) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-amino-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid
PubChem CID23509804
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-amino-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid
SMILESNC(CCc1ncc(-c2ccccc2)[nH]1)C(=O)O
InChIInChI=1S/C13H15N3O2/c14-10(13(17)18)6-7-12-15-8-11(16-12)9-4-2-1-3-5-9/h1-5,8,10H,6-7,14H2,(H,15,16)(H,17,18)
InChIKeyYYDFOPXOCYPFOE-UHFFFAOYSA-N
XLogP1.42
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-phenyl-1H-imidazol-2-yl)ethanamine;dihydrochloride
CID 13170817
2-amino-4-(6-oxo-1H-pyrimidin-2-yl)butanoic acid
CID 54353358
methyl 3-(5-phenyl-1H-imidazol-2-yl)propanoate
CID 116880424
5-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 43651216
2-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 116881749
1-(5-phenyl-1H-imidazol-2-yl)propan-2-amine
CID 60840875
2-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]propanoic acid
CID 119994891
azane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole
CID 174441840
1-[5-(4-phenylphenyl)-1H-imidazol-2-yl]propan-2-amine
CID 60842314
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(5-phenyl-1H-imidazol-2-yl)butanoate
CID 20739798
2-methyl-3-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]-3-oxopropanoic acid
CID 122066171
2-(chloromethyl)-5-phenyl-1H-imidazole;hydrochloride
CID 139644021

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid?
The IUPAC name of 2-amino-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid (CID 23509804) is 2-amino-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid.
What is the SMILES notation for 2-amino-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid?
The canonical SMILES for 2-amino-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid is NC(CCc1ncc(-c2ccccc2)[nH]1)C(=O)O.
What is the InChIKey of 2-amino-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid?
The InChIKey is YYDFOPXOCYPFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-10(13(17)18)6-7-12-15-8-11(16-12)9-4-2-1-3-5-9/h1-5,8,10H,6-7,14H2,(H,15,16)(H,17,18).
What are the key properties of 2-amino-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid?
2-amino-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid has a molecular weight of 245.28 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid is sourced from PubChem (CID 23509804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).