4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid

C16H19N3O3 — CID 119357488

IUPAC4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H19N3O3/c1-16(2,8-7-14(20)21)18-15(22)12-3-5-13(6-4-12)19-10-9-17-11-19/h3-6,9-11H,7-8H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyCQMYSJKTKQAMNG-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.25
Rot. Bonds6

About 4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid

4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid (PubChem CID 119357488) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid
PubChem CID119357488
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H19N3O3/c1-16(2,8-7-14(20)21)18-15(22)12-3-5-13(6-4-12)19-10-9-17-11-19/h3-6,9-11H,7-8H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyCQMYSJKTKQAMNG-UHFFFAOYSA-N
XLogP2.25
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid
CID 119203940
4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid
CID 62043256
N-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide
CID 110002138
N-[2-(4-chlorophenyl)propan-2-yl]-4-imidazol-1-ylbenzamide
CID 110445434
N-(1-amino-2,3-dimethylbutan-2-yl)-4-imidazol-1-ylbenzamide;dihydrochloride
CID 119607123
4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid
CID 62042412
4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
CID 62041548
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid
CID 62044369
4-imidazol-1-yl-N-(methoxyiminomethyl)benzamide
CID 135544499
N-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide
CID 135478140
3-methyl-3-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid
CID 64671459

Frequently Asked Questions

What is the IUPAC name of 4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid (CID 119357488) is 4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is CQMYSJKTKQAMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-16(2,8-7-14(20)21)18-15(22)12-3-5-13(6-4-12)19-10-9-17-11-19/h3-6,9-11H,7-8H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid?
4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 301.35 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 119357488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).