methyl 2-[(2-imidazol-1-ylacetyl)amino]benzoate

C13H13N3O3 — CID 674827

IUPACmethyl 2-[(2-imidazol-1-ylacetyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cn1ccnc1
InChIInChI=1S/C13H13N3O3/c1-19-13(18)10-4-2-3-5-11(10)15-12(17)8-16-7-6-14-9-16/h2-7,9H,8H2,1H3,(H,15,17)
InChIKeyUJVHCIXNLMVXFA-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.31
Rot. Bonds4

About methyl 2-[(2-imidazol-1-ylacetyl)amino]benzoate

methyl 2-[(2-imidazol-1-ylacetyl)amino]benzoate (PubChem CID 674827) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is methyl 2-[(2-imidazol-1-ylacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-imidazol-1-ylacetyl)amino]benzoate
PubChem CID674827
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Namemethyl 2-[(2-imidazol-1-ylacetyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cn1ccnc1
InChIInChI=1S/C13H13N3O3/c1-19-13(18)10-4-2-3-5-11(10)15-12(17)8-16-7-6-14-9-16/h2-7,9H,8H2,1H3,(H,15,17)
InChIKeyUJVHCIXNLMVXFA-UHFFFAOYSA-N
XLogP1.31
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-imidazol-1-ylacetyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-imidazol-1-ylacetyl)amino]benzoate (CID 674827) is methyl 2-[(2-imidazol-1-ylacetyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-imidazol-1-ylacetyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-imidazol-1-ylacetyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)Cn1ccnc1.
What is the InChIKey of methyl 2-[(2-imidazol-1-ylacetyl)amino]benzoate?
The InChIKey is UJVHCIXNLMVXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-19-13(18)10-4-2-3-5-11(10)15-12(17)8-16-7-6-14-9-16/h2-7,9H,8H2,1H3,(H,15,17).
What are the key properties of methyl 2-[(2-imidazol-1-ylacetyl)amino]benzoate?
methyl 2-[(2-imidazol-1-ylacetyl)amino]benzoate has a molecular weight of 259.27 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-imidazol-1-ylacetyl)amino]benzoate is sourced from PubChem (CID 674827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).