methylazanium;methyl 5-hydroxy-1-methylimidazole-4-carboxylate

C7H14N3O3+ — CID 160833833

IUPACmethylazanium;methyl 5-hydroxy-1-methylimidazole-4-carboxylate
SMILESCOC(=O)c1ncn(C)c1O.C[NH3+]
InChIInChI=1S/C6H8N2O3.CH5N/c1-8-3-7-4(5(8)9)6(10)11-2;1-2/h3,9H,1-2H3;2H2,1H3/p+1
InChIKeySHDOSYLKJANPRS-UHFFFAOYSA-O
MW188.21 g/mol
LogP-1.23
Rot. Bonds1

About methylazanium;methyl 5-hydroxy-1-methylimidazole-4-carboxylate

methylazanium;methyl 5-hydroxy-1-methylimidazole-4-carboxylate (PubChem CID 160833833) has the molecular formula C7H14N3O3+ and a molecular weight of 188.21 g/mol. Its IUPAC name is methylazanium;methyl 5-hydroxy-1-methylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethylazanium;methyl 5-hydroxy-1-methylimidazole-4-carboxylate
PubChem CID160833833
Molecular FormulaC7H14N3O3+
Molecular Weight188.21 g/mol
Exact Mass188.10
IUPAC Namemethylazanium;methyl 5-hydroxy-1-methylimidazole-4-carboxylate
SMILESCOC(=O)c1ncn(C)c1O.C[NH3+]
InChIInChI=1S/C6H8N2O3.CH5N/c1-8-3-7-4(5(8)9)6(10)11-2;1-2/h3,9H,1-2H3;2H2,1H3/p+1
InChIKeySHDOSYLKJANPRS-UHFFFAOYSA-O
XLogP-1.23
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 1-methylimidazole-4,5-dicarboxylate;ethane
CID 143864925
5-hydroxy-N,1-dimethylimidazole-4-carboxamide
CID 45120270
1-methylimidazole-4,5-diol
CID 91420197
methyl 1-methyl-6-oxopyrimidine-4-carboxylate
CID 141087181
methyl 1,4,5-trimethylpyrazole-3-carboxylate
CID 144787574
methyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate
CID 103544849
methyl 6-amino-1-methylbenzimidazole-5-carboxylate
CID 131279074
(3-methoxycarbonyl-1-methylpyrazol-4-yl)oxyboronic acid
CID 155759498
ethyl 1,5-dimethylimidazole-4-carboxylate
CID 13143714
methyl 1-methyl-3-propan-2-ylpyrazole-5-carboxylate
CID 25248219
methyl 5-amino-1-pent-3-ynylimidazole-4-carboxylate
CID 103546247
5-amino-1-methylimidazole-4-carboxamide;hydrochloride
CID 73011411

Frequently Asked Questions

What is the IUPAC name of methylazanium;methyl 5-hydroxy-1-methylimidazole-4-carboxylate?
The IUPAC name of methylazanium;methyl 5-hydroxy-1-methylimidazole-4-carboxylate (CID 160833833) is methylazanium;methyl 5-hydroxy-1-methylimidazole-4-carboxylate.
What is the SMILES notation for methylazanium;methyl 5-hydroxy-1-methylimidazole-4-carboxylate?
The canonical SMILES for methylazanium;methyl 5-hydroxy-1-methylimidazole-4-carboxylate is COC(=O)c1ncn(C)c1O.C[NH3+].
What is the InChIKey of methylazanium;methyl 5-hydroxy-1-methylimidazole-4-carboxylate?
The InChIKey is SHDOSYLKJANPRS-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H8N2O3.CH5N/c1-8-3-7-4(5(8)9)6(10)11-2;1-2/h3,9H,1-2H3;2H2,1H3/p+1.
What are the key properties of methylazanium;methyl 5-hydroxy-1-methylimidazole-4-carboxylate?
methylazanium;methyl 5-hydroxy-1-methylimidazole-4-carboxylate has a molecular weight of 188.21 g/mol, XLogP of -1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methylazanium;methyl 5-hydroxy-1-methylimidazole-4-carboxylate is sourced from PubChem (CID 160833833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).