Carbidopa monohydrate

C₁₀H₁₆N₂O₅CAS 38821-49-7244.25 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol Primary amine Secondary amine

Properties

Molecular formula: C₁₀H₁₆N₂O₅
Molar mass: 244.25 g/mol
Exact mass: 244.1059 Da
logP: -0.88Crippen estimate
Polar surface area: 147.3 Å²
H-bond donors / acceptors: 5 / 5
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

38821-49-7

SMILES

C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O.O

InChIKey

QTAOMKOIBXZKND-PPHPATTJSA-N

InChI

InChI=1S/C10H14N2O4.H2O/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6;/h2-4,12-14H,5,11H2,1H3,(H,15,16);1H2/t10-;/m0./s1

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Names and synonyms

3 names

Benzenepropanoic acid, α-hydrazinyl-3,4-dihydroxy-α-methyl-, hydrate (1:1), (αS)-
Benzenepropanoic acid, α-hydrazino-3,4-dihydroxy-α-methyl-, monohydrate, (S)-
Benzenepropanoic acid, α-hydrazino-3,4-dihydroxy-α-methyl-, monohydrate, (αS)-

Work with Carbidopa monohydrate

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

Carbidopa28860-95-993 % similar (-)-3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate41372-08-168 % similar (±)-Methyldopa55-40-362 % similar (±)-Methyldopa555-29-362 % similar Methyldopa555-30-662 % similar (αS)-α-Hydrazinyl-3,4-dimethoxy-α-methylbenzenepropanoic acid28860-96-061 % similar N-(Aminocarbonyl)-3-methoxy-O,α-dimethyl-L-tyrosine28861-00-942 % similar α-Methyl-P-tyrosine658-48-040 % similar

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

Elsewhere

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