7-Amino-4-methylcoumarin-3-acetic acid

C₁₂H₁₁NO₄CAS 106562-32-7233.22 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₂H₁₁NO₄
Molar mass: 233.22 g/mol
Exact mass: 233.0688 Da
logP: 1.31Crippen estimate
Polar surface area: 93.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Identifiers

CAS number

106562-32-7

SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)N)CC(=O)O

InChIKey

QEQDLKUMPUDNPG-UHFFFAOYSA-N

InChI

InChI=1S/C12H11NO4/c1-6-8-3-2-7(13)4-10(8)17-12(16)9(6)5-11(14)15/h2-4H,5,13H2,1H3,(H,14,15)

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Names and synonyms

1 names

7-Amino-4-methyl-3-coumarinylacetic acid

Work with 7-Amino-4-methylcoumarin-3-acetic 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

7-Amino-4-methylcoumarin26093-31-241 % similar (3-Aminophenyl)acetic acid14338-36-440 % similar 7-Methoxycoumarin-4-acetic acid62935-72-238 % similar Chlorferon6174-86-338 % similar 5,6-Dimethylxanthenone-4-acetic acid117570-53-337 % similar 3-Dibenzofuranamine4106-66-535 % similar 2,6-Dichlorophenylacetic acid6575-24-235 % similar 3-(4-Aminophenyl)propionic acid2393-17-134 % similar

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

Same formula

Methyl 1,4-dihydro-7-methoxy-4-oxo-6-quinolinecarboxylate205448-65-3 4-Phthalimidobutyric acid3130-75-4 Ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate40059-53-8

Elsewhere

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