Cbz-L-prolinol

C13H17NO3CAS 6216-63-3235.28 g/mol

Open in Covalent MOL file
NOOOH
AlcoholCarbamate

Properties

Molecular formula
C13H17NO3
Molar mass
235.28 g/mol
Exact mass
235.1208 Da
logP
1.78Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
6216-63-3
SMILES
C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)CO
InChIKey
BJTNHGVCFWDNDP-LBPRGKRZSA-N
InChI
InChI=1S/C13H17NO3/c15-9-12-7-4-8-14(12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12,15H,4,7-10H2/t12-/m0/s1

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Names and synonyms

1 names
  • (S)-1-Cbz-2-hydroxymethylpyrrolidine

Work with Cbz-L-prolinol

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-(Aminomethyl)-1-cbz-pyrrolidine119020-03-073 % similar Benzyl 2-(aminomethyl)piperidine-1-carboxylate811842-18-967 % similar Benzyloxycarbonyl-L-proline1148-11-464 % similar N-(Benzyloxycarbonyl)-D-proline6404-31-564 % similar Phenylmethyl 3-(hydroxymethyl)-1-piperidinecarboxylate39945-51-263 % similar Z-trans-4-Hydroxy-L-prolinol95687-41-563 % similar Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate122860-33-761 % similar (S)-1-N-Cbz-prolinamide34079-31-760 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-1-Cbz-3-hydroxymethylpyrrolidine124391-76-0 4-(Phenylmethyl)-2-morpholinecarboxylic acid methyl ester135782-29-5 N-Benzoyl-DL-leucine17966-67-5 Eutylone802855-66-9 1-N-Cbz-3-hydroxy-piperidine95798-22-4 N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-5

Elsewhere

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