2-(3-amino-5-ethoxybenzoyl)oxyacetic acid

C11H13NO5 — CID 81091355

IUPAC2-(3-amino-5-ethoxybenzoyl)oxyacetic acid
SMILESCCOc1cc(N)cc(C(=O)OCC(=O)O)c1
InChIInChI=1S/C11H13NO5/c1-2-16-9-4-7(3-8(12)5-9)11(15)17-6-10(13)14/h3-5H,2,6,12H2,1H3,(H,13,14)
InChIKeyYAZVEWPRVBVXCE-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.91
Rot. Bonds5

About 2-(3-amino-5-ethoxybenzoyl)oxyacetic acid

2-(3-amino-5-ethoxybenzoyl)oxyacetic acid (PubChem CID 81091355) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(3-amino-5-ethoxybenzoyl)oxyacetic acid.

Molecular Properties

Compound Name2-(3-amino-5-ethoxybenzoyl)oxyacetic acid
PubChem CID81091355
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name2-(3-amino-5-ethoxybenzoyl)oxyacetic acid
SMILESCCOc1cc(N)cc(C(=O)OCC(=O)O)c1
InChIInChI=1S/C11H13NO5/c1-2-16-9-4-7(3-8(12)5-9)11(15)17-6-10(13)14/h3-5H,2,6,12H2,1H3,(H,13,14)
InChIKeyYAZVEWPRVBVXCE-UHFFFAOYSA-N
XLogP0.91
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-amino-5-ethoxybenzoate
CID 58424919
(2-ethoxy-2-oxoethyl) 3-amino-5-ethoxybenzoate
CID 81092527
methyl 3-amino-5-ethoxybenzoate
CID 45089063
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-amino-5-ethoxybenzoate
CID 81093375
2-hydroxypropyl 3-amino-5-ethoxybenzoate
CID 81092070
tert-butyl 3-amino-5-ethoxybenzoate
CID 81091966
3-methylbutyl 3-amino-5-ethoxybenzoate
CID 81091232
2-cyclopropylethyl 3-amino-5-ethoxybenzoate
CID 81092437
2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid
CID 114263436
3-(dimethylamino)propyl 3-amino-5-ethoxybenzoate
CID 114526455
2-(trifluoromethoxy)ethyl 3-amino-5-ethoxybenzoate
CID 81091591
3-ethylsulfonylpropyl 3-amino-5-ethoxybenzoate
CID 81095162

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-ethoxybenzoyl)oxyacetic acid?
The IUPAC name of 2-(3-amino-5-ethoxybenzoyl)oxyacetic acid (CID 81091355) is 2-(3-amino-5-ethoxybenzoyl)oxyacetic acid.
What is the SMILES notation for 2-(3-amino-5-ethoxybenzoyl)oxyacetic acid?
The canonical SMILES for 2-(3-amino-5-ethoxybenzoyl)oxyacetic acid is CCOc1cc(N)cc(C(=O)OCC(=O)O)c1.
What is the InChIKey of 2-(3-amino-5-ethoxybenzoyl)oxyacetic acid?
The InChIKey is YAZVEWPRVBVXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-2-16-9-4-7(3-8(12)5-9)11(15)17-6-10(13)14/h3-5H,2,6,12H2,1H3,(H,13,14).
What are the key properties of 2-(3-amino-5-ethoxybenzoyl)oxyacetic acid?
2-(3-amino-5-ethoxybenzoyl)oxyacetic acid has a molecular weight of 239.23 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-ethoxybenzoyl)oxyacetic acid is sourced from PubChem (CID 81091355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).