1-(methylaminomethyl)imidazole-4-carboxylic acid

C6H9N3O2 — CID 174926083

IUPAC1-(methylaminomethyl)imidazole-4-carboxylic acid
SMILESCNCn1cnc(C(=O)O)c1
InChIInChI=1S/C6H9N3O2/c1-7-3-9-2-5(6(10)11)8-4-9/h2,4,7H,3H2,1H3,(H,10,11)
InChIKeyUKTYULKSNMEOGM-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.24
Rot. Bonds3

About 1-(methylaminomethyl)imidazole-4-carboxylic acid

1-(methylaminomethyl)imidazole-4-carboxylic acid (PubChem CID 174926083) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 1-(methylaminomethyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(methylaminomethyl)imidazole-4-carboxylic acid
PubChem CID174926083
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name1-(methylaminomethyl)imidazole-4-carboxylic acid
SMILESCNCn1cnc(C(=O)O)c1
InChIInChI=1S/C6H9N3O2/c1-7-3-9-2-5(6(10)11)8-4-9/h2,4,7H,3H2,1H3,(H,10,11)
InChIKeyUKTYULKSNMEOGM-UHFFFAOYSA-N
XLogP-0.24
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethylimidazole-4-carboxylic acid;hydrochloride
CID 122156639
1-(2-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341
1-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylic acid
CID 106717107
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazole-4-carboxylic acid
CID 106717027
1-[2-(propylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496584
(4-carboxyimidazol-1-yl)thallium
CID 147472653
1-[2-(2-methylanilino)-2-oxoethyl]imidazole-4-carboxylic acid
CID 106717030
1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496589
1-[2-(2-methylbutanoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496695
1-(2,3,3-trifluoropropyl)imidazole-4-carboxylic acid
CID 175565997
1-[2-(but-2-ynoylamino)ethyl]imidazole-4-carboxylic acid
CID 107987042
1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-carboxylic acid
CID 106717156

Frequently Asked Questions

What is the IUPAC name of 1-(methylaminomethyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(methylaminomethyl)imidazole-4-carboxylic acid (CID 174926083) is 1-(methylaminomethyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(methylaminomethyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(methylaminomethyl)imidazole-4-carboxylic acid is CNCn1cnc(C(=O)O)c1.
What is the InChIKey of 1-(methylaminomethyl)imidazole-4-carboxylic acid?
The InChIKey is UKTYULKSNMEOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-7-3-9-2-5(6(10)11)8-4-9/h2,4,7H,3H2,1H3,(H,10,11).
What are the key properties of 1-(methylaminomethyl)imidazole-4-carboxylic acid?
1-(methylaminomethyl)imidazole-4-carboxylic acid has a molecular weight of 155.16 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylaminomethyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 174926083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).