chempirical

(S)-(-)-1-tert-Butoxycarbonyl-3-aminopyrrolidine

C9H18N2O2CAS 147081-44-5186.25 g/mol

Open in Covalent MOL file
OONNH2
CarbamatePrimary amine

Properties

Molecular formula
C9H18N2O2
Molar mass
186.25 g/mol
Exact mass
186.1368 Da
logP
0.95Crippen estimate
Polar surface area
55.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
147081-44-5
SMILES
CC(C)(C)OC(=O)N1CC[C@@H](C1)N
InChIKey
CMIBWIAICVBURI-ZETCQYMHSA-N
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6,10H2,1-3H3/t7-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • tert-Butyl (3S)-3-aminopyrrolidine-1-carboxylate

Work with (S)-(-)-1-tert-Butoxycarbonyl-3-aminopyrrolidine

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

(S)-tert-Butyl 3-aminopiperidine-1-carboxylate625471-18-383 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-782 % similar (S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-563 % similar 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-963 % similar tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-063 % similar tert-Butyl 3-carbamoylpyrrolidine-1-carboxylate122684-34-863 % similar tert-Butyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate1174020-40-661 % similar 1,1-Dimethylethyl (3R,4S)-3-fluoro-4-hydroxy-1-piperidinecarboxylate1174020-42-861 % similar

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

Same formula

(S)-3-(Boc-amino)pyrrolidine122536-76-9 (R)-tert-Butyl pyrrolidin-3-ylcarbamate122536-77-0 (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-0 Dimorpholinomethane5625-90-1 N-Boc-piperazine57260-71-6 Ethyl 4-(methylamino)-1-piperidinecarboxylate73733-69-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook