2-[(1-methylimidazol-2-yl)amino]butanoic acid

C8H13N3O2 — CID 62132542

IUPAC2-[(1-methylimidazol-2-yl)amino]butanoic acid
SMILESCCC(Nc1nccn1C)C(=O)O
InChIInChI=1S/C8H13N3O2/c1-3-6(7(12)13)10-8-9-4-5-11(8)2/h4-6H,3H2,1-2H3,(H,9,10)(H,12,13)
InChIKeyUKHDRYVYBVFJNH-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.70
Rot. Bonds4

About 2-[(1-methylimidazol-2-yl)amino]butanoic acid

2-[(1-methylimidazol-2-yl)amino]butanoic acid (PubChem CID 62132542) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)amino]butanoic acid
PubChem CID62132542
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-[(1-methylimidazol-2-yl)amino]butanoic acid
SMILESCCC(Nc1nccn1C)C(=O)O
InChIInChI=1S/C8H13N3O2/c1-3-6(7(12)13)10-8-9-4-5-11(8)2/h4-6H,3H2,1-2H3,(H,9,10)(H,12,13)
InChIKeyUKHDRYVYBVFJNH-UHFFFAOYSA-N
XLogP0.70
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1-methylimidazol-2-yl)amino]butanoic 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

3-methoxy-2-[(1-methylimidazol-2-yl)amino]propanoic acid
CID 81078507
1-methyl-N-pentan-3-ylimidazol-2-amine
CID 62132399
2-methyl-4-[(1-methylimidazol-2-yl)amino]butanoic acid
CID 80539688
ethyl 2-[(1-methylimidazol-2-yl)amino]propanoate
CID 62133474
N-hexan-3-yl-1-methylimidazol-2-amine
CID 62133661
2-methyl-N-(1-methylimidazol-2-yl)-3-pyrazol-1-ylpropanamide
CID 134714430
N,N-dimethyl-2-[(1-methylimidazol-2-yl)amino]propanamide
CID 62133303
2-[(1-methylimidazol-2-yl)amino]-N-propan-2-ylacetamide
CID 62133098
2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid
CID 62478814
N-[2-[(1-methylimidazol-2-yl)amino]ethyl]acetamide
CID 62133096
4-methyl-2-[(1-methylimidazol-2-yl)amino]pentan-1-ol
CID 62133297
(2R)-2-[3-(2-ethylimidazol-1-yl)propanoylamino]butanoic acid
CID 126445443

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)amino]butanoic acid?
The IUPAC name of 2-[(1-methylimidazol-2-yl)amino]butanoic acid (CID 62132542) is 2-[(1-methylimidazol-2-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)amino]butanoic acid?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)amino]butanoic acid is CCC(Nc1nccn1C)C(=O)O.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)amino]butanoic acid?
The InChIKey is UKHDRYVYBVFJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-6(7(12)13)10-8-9-4-5-11(8)2/h4-6H,3H2,1-2H3,(H,9,10)(H,12,13).
What are the key properties of 2-[(1-methylimidazol-2-yl)amino]butanoic acid?
2-[(1-methylimidazol-2-yl)amino]butanoic acid has a molecular weight of 183.21 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)amino]butanoic acid is sourced from PubChem (CID 62132542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).