N-(tert-Butoxycarbonyl)-D-prolinal

C10H17NO3CAS 73365-02-3199.25 g/mol

Open in Covalent MOL file
OONO
AldehydeCarbamate

Properties

Molecular formula
C10H17NO3
Molar mass
199.25 g/mol
Exact mass
199.1208 Da
logP
1.58Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 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
73365-02-3
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]1C=O
InChIKey
YDBPZCVWPFMBDH-MRVPVSSYSA-N
InChI
InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h7-8H,4-6H2,1-3H3/t8-/m1/s1

Weigh it out

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

Work with N-(tert-Butoxycarbonyl)-D-prolinal

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.

1,1-Dimethylethyl (2S)-2-formyl-1-pyrrolidinecarboxylate69610-41-9Enantiomer

Similar compounds

(S)-1-N-Boc-2-(aminomethyl)pyrrolidine119020-01-859 % similar tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate170491-63-159 % similar (+-)-2-(Aminomethyl)-1-N-Boc-pyrrolidine177911-87-459 % similar (S)-(-)-1-Boc-2-pyrrolidinemethanol69610-40-859 % similar N-(tert-Butoxycarbonyl)-D-prolinol83435-58-959 % similar 1-Boc-piperidine-3-carboxaldehyde118156-93-757 % similar 1,1-Dimethylethyl 2-cyano-1-pyrrolidinecarboxylate144688-70-057 % similar 1-(1,1-Dimethylethyl) 2-borono-1-pyrrolidinecarboxylate149682-75-757 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl (R)-3-formylpyrrolidine-1-carboxylate191347-94-1 (S)-tert-Butyl 3-formylpyrrolidine-1-carboxylate191348-04-6 (+-)-1-(tert-Butoxycarbonyl)pyrrolidine-3-carboxaldehyde59379-02-1 tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-3 tert-Butyl 2-oxopiperidine-1-carboxylate85908-96-9 1,1-Dimethylethyl 3-acetyl-1-azetidinecarboxylate870089-49-9 1-Boc-3-piperidone98977-36-7

Elsewhere

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