5-(1H-imidazol-2-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid

C11H17N3O3 — CID 64548154

IUPAC5-(1H-imidazol-2-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NCc1ncc[nH]1
InChIInChI=1S/C11H17N3O3/c1-11(2,6-10(16)17)5-9(15)14-7-8-12-3-4-13-8/h3-4H,5-7H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)
InChIKeyOBQKGUNKCCQBLE-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.92
Rot. Bonds6

About 5-(1H-imidazol-2-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid

5-(1H-imidazol-2-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 64548154) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-(1H-imidazol-2-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(1H-imidazol-2-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid
PubChem CID64548154
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-(1H-imidazol-2-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NCc1ncc[nH]1
InChIInChI=1S/C11H17N3O3/c1-11(2,6-10(16)17)5-9(15)14-7-8-12-3-4-13-8/h3-4H,5-7H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)
InChIKeyOBQKGUNKCCQBLE-UHFFFAOYSA-N
XLogP0.92
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(1H-imidazol-2-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64531448
2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64529772
2-(1H-imidazol-2-ylmethylamino)-2-oxoacetic acid
CID 64524937
N-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide
CID 112691042
2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-2-methylpropanamide
CID 64531160
N-(1H-imidazol-2-ylmethyl)-2-(prop-2-ynylamino)acetamide
CID 79272188
N-(1H-imidazol-2-ylmethyl)-2-(1H-pyrazol-5-yl)acetamide
CID 79139019
4-(1H-imidazol-2-ylmethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498569
2-[2-(1H-imidazol-2-ylmethylamino)-2-oxoethyl]benzoic acid
CID 104601596
7-(1H-imidazol-2-ylmethylcarbamoylamino)heptanoic acid
CID 64524727
2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64517782
2-carbamothioyl-2-ethyl-N-(1H-imidazol-2-ylmethyl)butanamide
CID 64530778

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-(1H-imidazol-2-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid (CID 64548154) is 5-(1H-imidazol-2-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(1H-imidazol-2-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-(1H-imidazol-2-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)NCc1ncc[nH]1.
What is the InChIKey of 5-(1H-imidazol-2-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is OBQKGUNKCCQBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-11(2,6-10(16)17)5-9(15)14-7-8-12-3-4-13-8/h3-4H,5-7H2,1-2H3,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 5-(1H-imidazol-2-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid?
5-(1H-imidazol-2-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 64548154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).