[[4-(acetyloxycarbamoyl)benzoyl]amino] acetate

C12H12N2O6 — CID 539758

IUPAC[[4-(acetyloxycarbamoyl)benzoyl]amino] acetate
SMILESCC(=O)ONC(=O)c1ccc(C(=O)NOC(C)=O)cc1
InChIInChI=1S/C12H12N2O6/c1-7(15)19-13-11(17)9-3-5-10(6-4-9)12(18)14-20-8(2)16/h3-6H,1-2H3,(H,13,17)(H,14,18)
InChIKeySFZZKGIKDUNFBR-UHFFFAOYSA-N
MW280.24 g/mol
LogP0.10
Rot. Bonds2

About [[4-(acetyloxycarbamoyl)benzoyl]amino] acetate

[[4-(acetyloxycarbamoyl)benzoyl]amino] acetate (PubChem CID 539758) has the molecular formula C12H12N2O6 and a molecular weight of 280.24 g/mol. Its IUPAC name is [[4-(acetyloxycarbamoyl)benzoyl]amino] acetate.

Molecular Properties

Compound Name[[4-(acetyloxycarbamoyl)benzoyl]amino] acetate
PubChem CID539758
Molecular FormulaC12H12N2O6
Molecular Weight280.24 g/mol
Exact Mass280.07
IUPAC Name[[4-(acetyloxycarbamoyl)benzoyl]amino] acetate
SMILESCC(=O)ONC(=O)c1ccc(C(=O)NOC(C)=O)cc1
InChIInChI=1S/C12H12N2O6/c1-7(15)19-13-11(17)9-3-5-10(6-4-9)12(18)14-20-8(2)16/h3-6H,1-2H3,(H,13,17)(H,14,18)
InChIKeySFZZKGIKDUNFBR-UHFFFAOYSA-N
XLogP0.10
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Benzohydroxamic acid
CID 10313
4-Methylbenzamide
CID 69274
Carboxycinnamic Acid Bishydroxamide
CID 5353484
Terephthalamide
CID 76381
m-Toluamide
CID 69253
N-hydroxy-4-methylbenzamide
CID 426839
p-Toluohydrazide
CID 77174
N-Hydroxy-4-iodobenzamide
CID 615643
p-(tert-Butyl)benzamide
CID 92014
Benzadox
CID 21322
Biphenylhydroxamic acid
CID 44369716
Potassium benzohydroxamate
CID 3808331

Frequently Asked Questions

What is the IUPAC name of [[4-(acetyloxycarbamoyl)benzoyl]amino] acetate?
The IUPAC name of [[4-(acetyloxycarbamoyl)benzoyl]amino] acetate (CID 539758) is [[4-(acetyloxycarbamoyl)benzoyl]amino] acetate.
What is the SMILES notation for [[4-(acetyloxycarbamoyl)benzoyl]amino] acetate?
The canonical SMILES for [[4-(acetyloxycarbamoyl)benzoyl]amino] acetate is CC(=O)ONC(=O)c1ccc(C(=O)NOC(C)=O)cc1.
What is the InChIKey of [[4-(acetyloxycarbamoyl)benzoyl]amino] acetate?
The InChIKey is SFZZKGIKDUNFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O6/c1-7(15)19-13-11(17)9-3-5-10(6-4-9)12(18)14-20-8(2)16/h3-6H,1-2H3,(H,13,17)(H,14,18).
What are the key properties of [[4-(acetyloxycarbamoyl)benzoyl]amino] acetate?
[[4-(acetyloxycarbamoyl)benzoyl]amino] acetate has a molecular weight of 280.24 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(acetyloxycarbamoyl)benzoyl]amino] acetate is sourced from PubChem (CID 539758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).