ETHYL ANTHRANILATE
C₉H₁₁NO₂·165.190 g/mol·CID 6877
IUPAC: ethyl 2-aminobenzoate
Also known as: Ethyl 2-aminobenzoate, 87-25-2, Ethyl o-aminobenzoate, Anthranilic acid, ethyl ester, 2-Aminobenzoic acid ethyl ester (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
165.190g/mol
Exact Mass
165.078979Da
Monoisotopic Mass
165.078979Da
XLogP
2.6
Polar Surface Area
52.3Ų
Complexity
159
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
3
Rotatable Bonds
3
Heavy Atoms
12
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 165.2 g/mol
MW ≤ 500
✓ 2.6
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H315Causes skin irritationH319Causes serious eye irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C9H11NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2,10H2,1H3