5-(aminomethyl)-2-methyl-1H-imidazole-4-carboxylic acid

C6H9N3O2 — CID 83670470

IUPAC5-(aminomethyl)-2-methyl-1H-imidazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(CN)[nH]1
InChIInChI=1S/C6H9N3O2/c1-3-8-4(2-7)5(9-3)6(10)11/h2,7H2,1H3,(H,8,9)(H,10,11)
InChIKeyPOJKLZMBEFJEBV-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.12
Rot. Bonds2

About 5-(aminomethyl)-2-methyl-1H-imidazole-4-carboxylic acid

5-(aminomethyl)-2-methyl-1H-imidazole-4-carboxylic acid (PubChem CID 83670470) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-1H-imidazole-4-carboxylic acid
PubChem CID83670470
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name5-(aminomethyl)-2-methyl-1H-imidazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(CN)[nH]1
InChIInChI=1S/C6H9N3O2/c1-3-8-4(2-7)5(9-3)6(10)11/h2,7H2,1H3,(H,8,9)(H,10,11)
InChIKeyPOJKLZMBEFJEBV-UHFFFAOYSA-N
XLogP-0.12
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-(aminomethyl)-2-methyl-1H-imidazole-4-carboxylic acid (CID 83670470) is 5-(aminomethyl)-2-methyl-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-(aminomethyl)-2-methyl-1H-imidazole-4-carboxylic acid is Cc1nc(C(=O)O)c(CN)[nH]1.
What is the InChIKey of 5-(aminomethyl)-2-methyl-1H-imidazole-4-carboxylic acid?
The InChIKey is POJKLZMBEFJEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-3-8-4(2-7)5(9-3)6(10)11/h2,7H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 5-(aminomethyl)-2-methyl-1H-imidazole-4-carboxylic acid?
5-(aminomethyl)-2-methyl-1H-imidazole-4-carboxylic acid has a molecular weight of 155.16 g/mol, XLogP of -0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 83670470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).