(S)-2-(Aminomethyl)-1-cbz-pyrrolidine

C₁₃H₁₈N₂O₂CAS 119020-03-0234.30 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₃H₁₈N₂O₂
Molar mass: 234.30 g/mol
Exact mass: 234.1368 Da
logP: 1.75Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

119020-03-0

SMILES

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)CN

InChIKey

NQGRCKNDDGCZPV-UHFFFAOYSA-N

InChI

InChI=1S/C13H18N2O2/c14-9-12-7-4-8-15(12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2

Weigh it out

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

Names and synonyms

1 names

Benzyl 2-(aminomethyl)pyrrolidine-1-carboxylate

Work with (S)-2-(Aminomethyl)-1-cbz-pyrrolidine

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

Benzyl 2-(aminomethyl)piperidine-1-carboxylate811842-18-993 % similar Cbz-L-prolinol6216-63-373 % similar (S)-1-N-Cbz-prolinamide34079-31-764 % similar Phenylmethyl 3-(aminomethyl)-1-piperidinecarboxylate315717-76-163 % similar 4-Aminomethyl-1-N-Cbz-piperidine157023-34-261 % similar Benzyloxycarbonyl-L-proline1148-11-460 % similar N-(Benzyloxycarbonyl)-D-proline6404-31-560 % similar 1-Cbz-2-piperidinecarboxylic acid28697-07-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-3-Amino-1-N-cbz-piperidine1044560-96-4 4-(4-Methyl-1-piperazinylmethyl)benzoic acid106261-48-7 Benzyl 1,4-diazepane-1-carboxylate117009-97-9 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-1 Lenacil2164-08-1 3-Cbz-aminopiperidine hcl31648-54-1 Phenylmethyl (3S)-3-methyl-1-piperazinecarboxylate612493-87-5 Phenylmethyl 3-amino-1-piperidinecarboxylate711002-74-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook