4-Benzyloxycarbonylamino-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester

C₁₉H₂₆N₂O₆CAS 288154-16-5378.43 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₉H₂₆N₂O₆
Molar mass: 378.43 g/mol
Exact mass: 378.1791 Da
logP: 2.77Crippen estimate
Polar surface area: 105.2 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 4

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

288154-16-5

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)NC(=O)OCC2=CC=CC=C2

InChIKey

IHSWVSORYDACRV-UHFFFAOYSA-N

InChI

InChI=1S/C19H26N2O6/c1-18(2,3)27-17(25)21-11-9-19(10-12-21,15(22)23)20-16(24)26-13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,20,24)(H,22,23)

Weigh it out

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

Names and synonyms

1 names

4-(((Benzyloxy)carbonyl)amino)-1-(tert-butoxycarbonyl)piperidine-4-carboxylic acid

Work with 4-Benzyloxycarbonylamino-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester

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

4-(9H-Fluoren-9-ylmethoxycarbonylamino)-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester183673-66-772 % similar 4-tert-Butoxycarbonylamino-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester189321-65-171 % similar 1-[(Benzyloxy)carbonyl]-4-methylpiperidine-4-carboxylic acid203522-12-757 % similar Z-Aib-oh15030-72-556 % similar (S)-2-(((Benzyloxy)carbonyl)amino)-3-hydroxy-2-methylpropanoic acid114396-70-252 % similar 3-Benzyl-1-[(tert-butoxy)carbonyl]piperidine-3-carboxylic acid170838-83-252 % similar 1-Boc-4-methylpiperidine-4-carboxylic acid189321-63-950 % similar tert-Butyl 4-benzylpiperazine-1-carboxylate57260-70-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Succinimidyl 11-(maleimido)undecanoate87981-04-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook