(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

Hazards

Danger

H301 Toxic if swallowed97.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3-Hydroxy-1-N-cbz-pyrrolidine95656-88-5Stereo not defined

Similar compounds

1-N-Cbz-3-hydroxy-piperidine95798-22-485 % similar 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 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate66207-08-767 % 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 Benzoyl-dl-valine2901-80-6 2-Acetyl-4-butyramidophenol40188-45-2 4-(Morpholin-4-ium-4-ylmethyl)benzoate62642-62-0 Morpholin-4-yl-phenyl-acetic acid6342-19-4

Elsewhere

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