chempirical

D-1-N-Boc-prolinamide

C10H18N2O3CAS 70138-72-6214.26 g/mol

Open in Covalent MOL file
OONONH2
AmideCarbamate

Properties

Molecular formula
C10H18N2O3
Molar mass
214.26 g/mol
Exact mass
214.1317 Da
logP
0.87Crippen estimate
Polar surface area
72.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
Rin SMILES atom order

Hazards

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

Identifiers

CAS number
70138-72-6
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N
InChIKey
PITJAAIPVBVRAO-SSDOTTSWSA-N
InChI
InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-5-7(12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)/t7-/m1/s1

Weigh it out

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

Work with D-1-N-Boc-prolinamide

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-(aminocarbonyl)-1-pyrrolidinecarboxylate35150-07-3Enantiomer

Similar compounds

tert-Butyl 2-carbamoylpiperidine-1-carboxylate388077-74-592 % similar (S)-1-N-Boc-piperidine-2-carboxamide78058-41-092 % similar tert-Butyl (2S)-2-carbamothioylpyrrolidine-1-carboxylate101410-18-871 % similar Boc-L-proline15761-39-466 % similar (2R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid37784-17-166 % similar 1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid59433-50-066 % similar Boc-L-pro-ome59936-29-764 % similar Boc-D-pro-ome73323-65-664 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

tert-Butyl 3-carbamoylpyrrolidine-1-carboxylate122684-34-8 5-Oxo-(1,4)diazepane-1-carboxylic acid tert-butyl ester190900-21-1 Desthiobiotin533-48-2

Elsewhere

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