4-[methyl-(1-methylimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid

C11H15N3O4 — CID 107971541

IUPAC4-[methyl-(1-methylimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)c1cn(C)cn1)C1COCC1C(=O)O
InChIInChI=1S/C11H15N3O4/c1-13-3-8(12-6-13)10(15)14(2)9-5-18-4-7(9)11(16)17/h3,6-7,9H,4-5H2,1-2H3,(H,16,17)
InChIKeyVSZLPGHUDYSHHS-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.41
Rot. Bonds3

About 4-[methyl-(1-methylimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid

4-[methyl-(1-methylimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 107971541) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[methyl-(1-methylimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-(1-methylimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID107971541
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-[methyl-(1-methylimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)c1cn(C)cn1)C1COCC1C(=O)O
InChIInChI=1S/C11H15N3O4/c1-13-3-8(12-6-13)10(15)14(2)9-5-18-4-7(9)11(16)17/h3,6-7,9H,4-5H2,1-2H3,(H,16,17)
InChIKeyVSZLPGHUDYSHHS-UHFFFAOYSA-N
XLogP-0.41
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 114218928
4-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66238377
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N,1-dimethylimidazole-4-carboxamide
CID 110128117
4-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66237371
4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66236338
4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66238171
4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66237142
4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid
CID 66235943
4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266133
4-[(6-methoxypyridine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66236943
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-carboxamide
CID 107972294
4-[methyl-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266922

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(1-methylimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-(1-methylimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid (CID 107971541) is 4-[methyl-(1-methylimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-(1-methylimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-(1-methylimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid is CN(C(=O)c1cn(C)cn1)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl-(1-methylimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is VSZLPGHUDYSHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-13-3-8(12-6-13)10(15)14(2)9-5-18-4-7(9)11(16)17/h3,6-7,9H,4-5H2,1-2H3,(H,16,17).
What are the key properties of 4-[methyl-(1-methylimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid?
4-[methyl-(1-methylimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(1-methylimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 107971541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).