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

Hazards

Warning
Irritant (GHS07)

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

(3S)-1-[(tert-Butoxy)carbonyl]pyrrolidine-3-carboxylic acid140148-70-578 % similar 1-((tert-Butoxy)carbonyl)pyrrolidine-3-carboxylic acid59378-75-578 % similar (3R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-3-carboxylic acid72925-16-778 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-376 % similar 1-((tert-Butoxy)carbonyl)piperidine-3-carboxylic acid71381-75-476 % similar 1-Boc-3-piperidinecarboxylic acid84358-12-376 % similar L-1-Boc-nipecotic acid88495-54-976 % similar (1R,5S,6r)-3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid1401464-07-072 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(Ethoxycarbonyl)-4-piperidinecarboxylic acid118133-15-6 1-[(tert-Butoxy)carbonyl]azetidine-2-carboxylic acid159749-28-7 Boc-D-azetidine-2-carboxylic acid228857-58-7 1-Boc-L-azetidine-2-carboxylic acid51077-14-6 1-Amino-4-oxocyclohexanecarboxylic acid ethylene ketal54621-18-0 2-tert-Butoxycarbonylamino-acrylic acid methyl ester55477-80-0 1-[(tert-Butoxycarbonyl)amino]cyclopropanecarboxylic acid88950-64-5

Elsewhere

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