3-methyl-2-(methylaminomethyl)imidazole-4-carboxylic acid

C7H11N3O2 — CID 117188318

IUPAC3-methyl-2-(methylaminomethyl)imidazole-4-carboxylic acid
SMILESCNCc1ncc(C(=O)O)n1C
InChIInChI=1S/C7H11N3O2/c1-8-4-6-9-3-5(7(11)12)10(6)2/h3,8H,4H2,1-2H3,(H,11,12)
InChIKeyFCGSTWCMILFQED-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.16
Rot. Bonds3

About 3-methyl-2-(methylaminomethyl)imidazole-4-carboxylic acid

3-methyl-2-(methylaminomethyl)imidazole-4-carboxylic acid (PubChem CID 117188318) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-methyl-2-(methylaminomethyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-(methylaminomethyl)imidazole-4-carboxylic acid
PubChem CID117188318
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name3-methyl-2-(methylaminomethyl)imidazole-4-carboxylic acid
SMILESCNCc1ncc(C(=O)O)n1C
InChIInChI=1S/C7H11N3O2/c1-8-4-6-9-3-5(7(11)12)10(6)2/h3,8H,4H2,1-2H3,(H,11,12)
InChIKeyFCGSTWCMILFQED-UHFFFAOYSA-N
XLogP-0.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3-methylimidazole-4-carboxylic acid
CID 82375320
2-(hydroxymethyl)-3-methylimidazole-4-carboxylic acid
CID 117188464
2-[(4-methoxyphenoxy)methyl]-3-methylimidazole-4-carboxylic acid
CID 117188427
1-(5-bromo-1-methylimidazol-2-yl)-N-methylmethanamine
CID 83881750
3-ethyl-2-[(propan-2-ylamino)methyl]imidazole-4-carboxylic acid
CID 117188784
2-[[[2-(cyclopropylmethyl)pyrazol-3-yl]sulfonylamino]methyl]-3-methylimidazole-4-carboxylic acid
CID 166400012
3-methyl-2-[[(7-oxo-6-oxaspiro[3.4]octan-5-yl)methylcarbamoylamino]methyl]imidazole-4-carboxylic acid
CID 167849287
2-(1-ethoxyethenyl)-3-methylimidazole-4-carboxylic acid
CID 165468347
2-[[cyclopropyl-[(4-hydroxyphenyl)methyl]amino]methyl]-3-methylimidazole-4-carboxylic acid
CID 167836856
3-methyl-2-propan-2-yloxyimidazole-4-carboxylic acid
CID 117190537
3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylimidazole-4-carboxylic acid
CID 65172745
2-cyclopentyl-3-methylimidazole-4-carboxylic acid
CID 82375323

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(methylaminomethyl)imidazole-4-carboxylic acid?
The IUPAC name of 3-methyl-2-(methylaminomethyl)imidazole-4-carboxylic acid (CID 117188318) is 3-methyl-2-(methylaminomethyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-2-(methylaminomethyl)imidazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-2-(methylaminomethyl)imidazole-4-carboxylic acid is CNCc1ncc(C(=O)O)n1C.
What is the InChIKey of 3-methyl-2-(methylaminomethyl)imidazole-4-carboxylic acid?
The InChIKey is FCGSTWCMILFQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-8-4-6-9-3-5(7(11)12)10(6)2/h3,8H,4H2,1-2H3,(H,11,12).
What are the key properties of 3-methyl-2-(methylaminomethyl)imidazole-4-carboxylic acid?
3-methyl-2-(methylaminomethyl)imidazole-4-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(methylaminomethyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 117188318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).