chempirical

tert-Butyl 3-carbamoylpyrrolidine-1-carboxylate

C10H18N2O3CAS 122684-34-8214.26 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
0.73Crippen estimate
Polar surface area
72.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
122684-34-8
SMILES
CC(C)(C)OC(=O)N1CCC(C1)C(=O)N
InChIKey
NHDGOVOBEZPXMY-UHFFFAOYSA-N
InChI
InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-5-4-7(6-12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)

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Names and synonyms

1 names
  • 3-Aminocarbonyl-1-boc-pyrrolidine

Work with tert-Butyl 3-carbamoylpyrrolidine-1-carboxylate

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

1-(1,1-Dimethylethyl) (3R)-1,3-pyrrolidinedicarboxylate72925-16-766 % similar 1-tert-Butyl 3-methyl pyrrolidine-1,3-dicarboxylate122684-33-764 % similar (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-063 % similar 1-(1,1-Dimethylethyl) 3-ethyl 1,3-pyrrolidinedicarboxylate170844-49-261 % similar (S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-559 % similar 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-959 % similar tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-059 % similar 1-tert-Butoxycarbonyl-4-acetylpiperidine206989-61-959 % similar

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

Same formula

1,1-Dimethylethyl (2S)-2-(aminocarbonyl)-1-pyrrolidinecarboxylate35150-07-3 Desthiobiotin533-48-2

Elsewhere

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