4-amino-1-methylimidazole-2-carboxylic acid

C5H7N3O2 — CID 4635498

IUPAC4-amino-1-methylimidazole-2-carboxylic acid
SMILESCn1cc(N)nc1C(=O)O
InChIInChI=1S/C5H7N3O2/c1-8-2-3(6)7-4(8)5(9)10/h2H,6H2,1H3,(H,9,10)
InChIKeyPPQDQYBXCYQCNH-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.30
Rot. Bonds1

About 4-amino-1-methylimidazole-2-carboxylic acid

4-amino-1-methylimidazole-2-carboxylic acid (PubChem CID 4635498) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 4-amino-1-methylimidazole-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-methylimidazole-2-carboxylic acid
PubChem CID4635498
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name4-amino-1-methylimidazole-2-carboxylic acid
SMILESCn1cc(N)nc1C(=O)O
InChIInChI=1S/C5H7N3O2/c1-8-2-3(6)7-4(8)5(9)10/h2H,6H2,1H3,(H,9,10)
InChIKeyPPQDQYBXCYQCNH-UHFFFAOYSA-N
XLogP-0.30
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-1-methylimidazol-2-yl)ethanone;ethane
CID 143059053
ethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride
CID 22349687
1-methyl-4-(methylamino)imidazole-2-carboxylic acid
CID 122407712
4-amino-N-[2-(dimethylaminocarbamoyl)-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide
CID 19108635
methyl 4-[(4-amino-1-methylimidazole-2-carbonyl)amino]benzoate;hydrochloride
CID 135351170
4-benzamido-1-methylimidazole-2-carboxylic acid
CID 121013976
4-(2-methoxy-5-methylphenyl)-1-methylimidazole-2-carboxylic acid
CID 82086061
1-methyl-2-phenylimidazol-4-amine
CID 23064416
1-methyl-2-(trifluoromethyl)imidazol-4-amine
CID 82377974
1-(4-amino-2-methylimidazol-1-yl)ethanone
CID 55285933
1-aminoimidazole-2,4-dicarboxylic acid
CID 174157581
4-[(3-hydroxyphenoxy)methyl]-1-methylimidazole-2-carboxylic acid
CID 117191697

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylimidazole-2-carboxylic acid?
The IUPAC name of 4-amino-1-methylimidazole-2-carboxylic acid (CID 4635498) is 4-amino-1-methylimidazole-2-carboxylic acid.
What is the SMILES notation for 4-amino-1-methylimidazole-2-carboxylic acid?
The canonical SMILES for 4-amino-1-methylimidazole-2-carboxylic acid is Cn1cc(N)nc1C(=O)O.
What is the InChIKey of 4-amino-1-methylimidazole-2-carboxylic acid?
The InChIKey is PPQDQYBXCYQCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-8-2-3(6)7-4(8)5(9)10/h2H,6H2,1H3,(H,9,10).
What are the key properties of 4-amino-1-methylimidazole-2-carboxylic acid?
4-amino-1-methylimidazole-2-carboxylic acid has a molecular weight of 141.13 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylimidazole-2-carboxylic acid is sourced from PubChem (CID 4635498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).