methyl 2-[(2-acetyloxyacetyl)amino]benzoate

C12H13NO5 — CID 2391092

IUPACmethyl 2-[(2-acetyloxyacetyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(C)=O
InChIInChI=1S/C12H13NO5/c1-8(14)18-7-11(15)13-10-6-4-3-5-9(10)12(16)17-2/h3-6H,7H2,1-2H3,(H,13,15)
InChIKeyLUKBUDINODKYDJ-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.97
Rot. Bonds4

About methyl 2-[(2-acetyloxyacetyl)amino]benzoate

methyl 2-[(2-acetyloxyacetyl)amino]benzoate (PubChem CID 2391092) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is methyl 2-[(2-acetyloxyacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-acetyloxyacetyl)amino]benzoate
PubChem CID2391092
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Namemethyl 2-[(2-acetyloxyacetyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(C)=O
InChIInChI=1S/C12H13NO5/c1-8(14)18-7-11(15)13-10-6-4-3-5-9(10)12(16)17-2/h3-6H,7H2,1-2H3,(H,13,15)
InChIKeyLUKBUDINODKYDJ-UHFFFAOYSA-N
XLogP0.97
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-acetyloxyacetyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-acetyloxyacetyl)amino]benzoate (CID 2391092) is methyl 2-[(2-acetyloxyacetyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-acetyloxyacetyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-acetyloxyacetyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)COC(C)=O.
What is the InChIKey of methyl 2-[(2-acetyloxyacetyl)amino]benzoate?
The InChIKey is LUKBUDINODKYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c1-8(14)18-7-11(15)13-10-6-4-3-5-9(10)12(16)17-2/h3-6H,7H2,1-2H3,(H,13,15).
What are the key properties of methyl 2-[(2-acetyloxyacetyl)amino]benzoate?
methyl 2-[(2-acetyloxyacetyl)amino]benzoate has a molecular weight of 251.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-acetyloxyacetyl)amino]benzoate is sourced from PubChem (CID 2391092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).