chempirical

2-Amino-3,5-dimethylbenzoic acid

C9H11NO2CAS 14438-32-5165.19 g/mol

Open in Covalent MOL file
OOHNH2
Carboxylic acidPrimary amine

Properties

Molecular formula
C9H11NO2
Molar mass
165.19 g/mol
Exact mass
165.0790 Da
logP
1.58Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
14438-32-5
SMILES
CC1=CC(=C(C(=C1)C(=O)O)N)C
InChIKey
GIMYRAQQQBFFFJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4H,10H2,1-2H3,(H,11,12)

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Work with 2-Amino-3,5-dimethylbenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-3-bromo-5-methylbenzoic acid13091-43-567 % similar 2-Amino-5-chloro-3-methylbenzoic acid20776-67-467 % similar 2-Amino-3-methylbenzoic acid4389-45-158 % similar 2,5-Dimethylbenzoic acid610-72-057 % similar 2,4-Dimethylbenzoic acid611-01-857 % similar 2-Amino-5-methylbenzoic acid2941-78-854 % similar 2,4,6-Trimethylaniline88-05-153 % similar 2-Amino-3,4-dimethylbenzoic acid50419-58-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl N-phenylcarbamate101-99-5 Metolcarb1129-41-5 2-Amino-2-(4-methylphenyl)acetic acid13227-01-5 (+)-3-Amino-3-phenylpropanoic acid13921-90-9 1,3-Benzodioxole-5-ethanamine1484-85-1 Dl-phenylalanine150-30-1 3-(3-Aminophenyl)propionic acid1664-54-6 N-(4-Hydroxyphenyl)propanamide1693-37-4

Elsewhere

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