1,1-Dimethylethyl (2S)-2-(aminocarbonyl)-1-pyrrolidinecarboxylate

C₁₀H₁₈N₂O₃CAS 35150-07-3214.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₈N₂O₃
Molar mass: 214.26 g/mol
Exact mass: 214.1317 Da
Melting point: 108–110 °C
logP: 1.92Crippen estimate
Polar surface area: 73.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed93% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

35150-07-3

SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=N)O

InChIKey

PITJAAIPVBVRAO-ZETCQYMHSA-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-/m0/s1

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Names and synonyms

6 names

1-Pyrrolidinecarboxylic acid, 2-(aminocarbonyl)-, 1,1-dimethylethyl ester, (2S)-
1-Pyrrolidinecarboxylic acid, 2-(aminocarbonyl)-, 1,1-dimethylethyl ester, (S)-
N-(tert-Butoxycarbonyl)proline amide
N-tert-Butoxycarbonyl-L-proline amide
tert-Butyl (S)-2-carbamoylpyrrolidine-1-carboxylate
(S)-tert-Butyl 2-carbamoylpyrrolidine-1-carboxylate

Work with 1,1-Dimethylethyl (2S)-2-(aminocarbonyl)-1-pyrrolidinecarboxylate

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.

D-1-N-Boc-prolinamide70138-72-6Enantiomer

Similar compounds

Boc-L-proline15761-39-471 % similar (2R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid37784-17-171 % similar 1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid59433-50-071 % similar 1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-965 % similar (2S)-1-((tert-Butoxy)carbonyl)piperidine-2-carboxylic acid26250-84-065 % similar (R)-(+)-N-Boc-2-piperidinecarboxylic acid28697-17-865 % similar N-Boc-2-piperidinecarboxylic acid98303-20-965 % similar Boc-L-pro-ome59936-29-761 % 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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