chempirical

1-Boc-azetidine-3-carboxylic acid

C9H15NO4CAS 142253-55-2201.22 g/mol

Open in Covalent MOL file
OONOOH
CarbamateCarboxylic acid

Properties

Molecular formula
C9H15NO4
Molar mass
201.22 g/mol
Exact mass
201.1001 Da
logP
0.94Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
142253-55-2
SMILES
CC(C)(C)OC(=O)N1CC(C(=O)O)C1
InChIKey
NCADHSLPNSTDMJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-4-6(5-10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)

Weigh it out

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

Names and synonyms

6 names
  • 1,3-Azetidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester
  • 1-(tert-Butyloxycarbonyl)azetidine-3-carboxylic acid
  • 1-tert-Butoxycarbonylazetidine-3-carboxylic acid
  • N-(tert-Butoxycarbonyl)azetidine-3-carboxylic acid
  • Azetidine-1,3-dicarboxylic acid mono-tert-butyl ester
  • 1-[(2-Methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid

Work with 1-Boc-azetidine-3-carboxylic acid

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-pyrrolidinedicarboxylate72925-16-778 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-376 % similar 3-(1,1-Dimethylethyl) (1α,5α,6α)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate927679-54-772 % similar 7-(1,1-Dimethylethyl) 7-azaspiro[3.5]nonane-2,7-dicarboxylate873924-12-065 % similar 1,1-Dimethylethyl 3-acetyl-1-azetidinecarboxylate870089-49-964 % similar [1-(tert-Butoxycarbonyl)azetidin-3-yl]acetic acid183062-96-663 % similar 1-tert-Butyl 3-methyl azetidine-1,3-dicarboxylate610791-05-461 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-260 % similar

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

Same formula

1-(Ethoxycarbonyl)-4-piperidinecarboxylic acid118133-15-6 1-[(tert-Butoxycarbonyl)amino]cyclopropanecarboxylic acid88950-64-5

Elsewhere

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