(R)-(-)-1-CBZ-3-pyrrolidinol

C₁₂H₁₅NO₃CAS 100858-33-1221.26 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: 1.39Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

100858-33-1

SMILES

C1CN(C[C@@H]1O)C(=O)OCC2=CC=CC=C2

InChIKey

MBLJFGOKYTZKMH-LLVKDONJSA-N

InChI

InChI=1S/C12H15NO3/c14-11-6-7-13(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2/t11-/m1/s1

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Names and synonyms

1 names

(R)-1-Cbz-3-pyrrolidinol

Work with (R)-(-)-1-CBZ-3-pyrrolidinol

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

N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-584 % similar Benzyl 3-hydroxyazetidine-1-carboxylate128117-22-679 % similar (S)-1-Cbz-3-hydroxymethylpyrrolidine124391-76-068 % similar (S)-1-Cbz-3-aminopyrrolidine122536-72-567 % similar Phenylmethyl (3R)-3-amino-1-pyrrolidinecarboxylate122536-73-667 % similar Phenylmethyl 3-amino-1-pyrrolidinecarboxylate185057-50-567 % similar Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate122860-33-764 % similar 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-163 % similar

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

Same formula

Benzyl (1-(hydroxymethyl)cyclopropyl)carbamate103500-22-7 N-(4-Ethoxyphenyl)-3-oxobutanamide122-82-7 Carbofuran1563-66-2 Metaxalone1665-48-1 2-Acetyl-4-butyramidophenol40188-45-2

Elsewhere

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