Alpha-Methyl-4-carboxyphenylglycine

C₁₀H₁₁NO₄CAS 146669-29-6209.20 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₀H₁₁NO₄
Molar mass: 209.20 g/mol
Exact mass: 209.0688 Da
logP: 0.64Crippen estimate
Polar surface area: 100.6 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3

Identifiers

CAS number

146669-29-6

SMILES

CC(C1=CC=C(C=C1)C(=O)O)(C(=O)O)N

InChIKey

DNCAZYRLRMTVSF-UHFFFAOYSA-N

InChI

InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)

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Names and synonyms

1 names

(Rs)-mcpg

Work with Alpha-Methyl-4-carboxyphenylglycine

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

Para-tert-butylbenzoic acid98-73-757 % similar 4-(Trifluoromethyl)benzoic acid455-24-349 % similar Terephthalic acid100-21-048 % similar 2,2-Bis(4-carboxyphenyl)hexafluoropropane1171-47-746 % similar 4-Aminobenzoic acid150-13-044 % similar 4-(Aminocarbonyl)benzoic acid6051-43-044 % similar Benzoic acid65-85-044 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-244 % similar

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

Same formula

2,3-Dimethyl 5-methyl-2,3-pyridinedicarboxylate112110-16-4 N-Phenyliminodiacetic acid1137-73-1 Benzyloxycarbonylglycine1138-80-3 2-(4-Formyl-2-methoxyphenoxy)acetamide186685-89-2 2,4-Dimethoxy-omega-nitrostyrene1891-10-7 Methyl 4-acetamido-2-hydroxybenzoate4093-28-1 (αR)-α-[(Methoxycarbonyl)amino]benzeneacetic acid50890-96-5 Dimethyl 3-aminoterephthalate5372-81-6

Elsewhere

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