3-amino-5-(2-methylpropyl)imidazole-4-carboxylic acid

C8H13N3O2 — CID 134360754

IUPAC3-amino-5-(2-methylpropyl)imidazole-4-carboxylic acid
SMILESCC(C)Cc1ncn(N)c1C(=O)O
InChIInChI=1S/C8H13N3O2/c1-5(2)3-6-7(8(12)13)11(9)4-10-6/h4-5H,3,9H2,1-2H3,(H,12,13)
InChIKeyIELZSBQMCMOLKM-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.49
Rot. Bonds3

About 3-amino-5-(2-methylpropyl)imidazole-4-carboxylic acid

3-amino-5-(2-methylpropyl)imidazole-4-carboxylic acid (PubChem CID 134360754) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-amino-5-(2-methylpropyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(2-methylpropyl)imidazole-4-carboxylic acid
PubChem CID134360754
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-amino-5-(2-methylpropyl)imidazole-4-carboxylic acid
SMILESCC(C)Cc1ncn(N)c1C(=O)O
InChIInChI=1S/C8H13N3O2/c1-5(2)3-6-7(8(12)13)11(9)4-10-6/h4-5H,3,9H2,1-2H3,(H,12,13)
InChIKeyIELZSBQMCMOLKM-UHFFFAOYSA-N
XLogP0.49
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-5-(2-methylpropyl)imidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927
2-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82392180
5-(2-methylpropyl)pyrimidine-2-carboxylic acid
CID 84732267
2-(2-aminoethyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114358572
5-bromo-3-methyl-6-(2-methylpropyl)pyrimidin-4-one
CID 165470590
6-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid
CID 119053821
3-cyclopropyl-5-(2-methylpropyl)imidazol-4-amine
CID 62077316
1-(4-tert-butylphenyl)-3-(2-methylpropyl)-5-propan-2-ylpyrazole-4-carboxylic acid
CID 3680388
2-[4-(aminomethyl)phenyl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114358886
5-(aminomethyl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid
CID 115059841
ethyl 4-bromo-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxylate
CID 24728986
5-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid
CID 82412941

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-methylpropyl)imidazole-4-carboxylic acid?
The IUPAC name of 3-amino-5-(2-methylpropyl)imidazole-4-carboxylic acid (CID 134360754) is 3-amino-5-(2-methylpropyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 3-amino-5-(2-methylpropyl)imidazole-4-carboxylic acid?
The canonical SMILES for 3-amino-5-(2-methylpropyl)imidazole-4-carboxylic acid is CC(C)Cc1ncn(N)c1C(=O)O.
What is the InChIKey of 3-amino-5-(2-methylpropyl)imidazole-4-carboxylic acid?
The InChIKey is IELZSBQMCMOLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(2)3-6-7(8(12)13)11(9)4-10-6/h4-5H,3,9H2,1-2H3,(H,12,13).
What are the key properties of 3-amino-5-(2-methylpropyl)imidazole-4-carboxylic acid?
3-amino-5-(2-methylpropyl)imidazole-4-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-methylpropyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 134360754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).