2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid

C12H13N3O4 — CID 63914686

IUPAC2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid
SMILESO=C(O)CONC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C12H13N3O4/c16-11(14-19-7-12(17)18)5-6-15-8-13-9-3-1-2-4-10(9)15/h1-4,8H,5-7H2,(H,14,16)(H,17,18)
InChIKeyQDZTXMNCRBYCKC-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.56
Rot. Bonds6

About 2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid

2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid (PubChem CID 63914686) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid
PubChem CID63914686
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid
SMILESO=C(O)CONC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C12H13N3O4/c16-11(14-19-7-12(17)18)5-6-15-8-13-9-3-1-2-4-10(9)15/h1-4,8H,5-7H2,(H,14,16)(H,17,18)
InChIKeyQDZTXMNCRBYCKC-UHFFFAOYSA-N
XLogP0.56
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic 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-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
methyl 2-[3-(benzimidazol-1-yl)propanoylamino]propanoate
CID 60675736
N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16781831
3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 63819900
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359
3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanoic acid
CID 66167640
3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide
CID 107362610
3-(benzimidazol-1-yl)-N'-[2-(3,5-dimethylphenoxy)acetyl]propanehydrazide
CID 36848593
2-hydroxyethyl 3-(benzimidazol-1-yl)propanoate
CID 54016386
2-[3-(benzimidazol-1-yl)propanoylamino]-2-methylbutanoic acid
CID 79789545
N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide
CID 47412640
3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide
CID 120827403

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid?
The IUPAC name of 2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid (CID 63914686) is 2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid.
What is the SMILES notation for 2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid?
The canonical SMILES for 2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid is O=C(O)CONC(=O)CCn1cnc2ccccc21.
What is the InChIKey of 2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid?
The InChIKey is QDZTXMNCRBYCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c16-11(14-19-7-12(17)18)5-6-15-8-13-9-3-1-2-4-10(9)15/h1-4,8H,5-7H2,(H,14,16)(H,17,18).
What are the key properties of 2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid?
2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid has a molecular weight of 263.25 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid is sourced from PubChem (CID 63914686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).