methyl 2-acetamidobenzoate

C10H11NO3 — CID 17623

IUPACmethyl 2-acetamidobenzoate
SMILESCOC(=O)c1ccccc1NC(C)=O
InChIInChI=1S/C10H11NO3/c1-7(12)11-9-6-4-3-5-8(9)10(13)14-2/h3-6H,1-2H3,(H,11,12)
InChIKeyUYQKZKVNYKOXHG-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.43
Rot. Bonds2

About methyl 2-acetamidobenzoate

methyl 2-acetamidobenzoate (PubChem CID 17623) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 2-acetamidobenzoate.

Molecular Properties

Compound Namemethyl 2-acetamidobenzoate
PubChem CID17623
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 2-acetamidobenzoate
SMILESCOC(=O)c1ccccc1NC(C)=O
InChIInChI=1S/C10H11NO3/c1-7(12)11-9-6-4-3-5-8(9)10(13)14-2/h3-6H,1-2H3,(H,11,12)
InChIKeyUYQKZKVNYKOXHG-UHFFFAOYSA-N
XLogP1.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamidobenzoate?
The IUPAC name of methyl 2-acetamidobenzoate (CID 17623) is methyl 2-acetamidobenzoate.
What is the SMILES notation for methyl 2-acetamidobenzoate?
The canonical SMILES for methyl 2-acetamidobenzoate is COC(=O)c1ccccc1NC(C)=O.
What is the InChIKey of methyl 2-acetamidobenzoate?
The InChIKey is UYQKZKVNYKOXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7(12)11-9-6-4-3-5-8(9)10(13)14-2/h3-6H,1-2H3,(H,11,12).
What are the key properties of methyl 2-acetamidobenzoate?
methyl 2-acetamidobenzoate has a molecular weight of 193.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamidobenzoate is sourced from PubChem (CID 17623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).