Benzyl (1-(hydroxymethyl)cyclopropyl)carbamate

C₁₂H₁₅NO₃CAS 103500-22-7221.26 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₁₂H₁₅NO₃
Molar mass: 221.26 g/mol
Exact mass: 221.1052 Da
logP: 1.44Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Identifiers

CAS number

103500-22-7

SMILES

C1CC1(CO)NC(=O)OCC2=CC=CC=C2

InChIKey

VAZQQRNYILEOGE-UHFFFAOYSA-N

InChI

InChI=1S/C12H15NO3/c14-9-12(6-7-12)13-11(15)16-8-10-4-2-1-3-5-10/h1-5,14H,6-9H2,(H,13,15)

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Names and synonyms

1 names

Benzyl 1-(hydroxymethyl)cyclopropylcarbamate

Work with Benzyl (1-(hydroxymethyl)cyclopropyl)carbamate

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

(S)-2-(((Benzyloxy)carbonyl)amino)-3-hydroxy-2-methylpropanoic acid114396-70-262 % similar Benzyl 3-oxocyclobutylcarbamate130369-36-748 % similar tert-Butyl N-(1-(hydroxymethyl)cyclopropyl)carbamate107017-73-248 % similar Bis(phenylmethyl) carbonate3459-92-545 % similar Dibenzyl oxalate7579-36-445 % similar (R)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate118399-28-345 % similar Z-Asn(trt)-oh132388-57-944 % similar Dibenzyl succinate103-43-543 % similar

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

Same formula

(R)-(-)-1-CBZ-3-pyrrolidinol100858-33-1 N-(4-Ethoxyphenyl)-3-oxobutanamide122-82-7 Carbofuran1563-66-2 Metaxalone1665-48-1 2-Acetyl-4-butyramidophenol40188-45-2

Elsewhere

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