1-Benzyloxycarbonylazetidine-3-carboxylic acid

C12H13NO4CAS 97628-92-7235.24 g/mol

Open in Covalent MOL file
OHONOO
CarbamateCarboxylic acid

Properties

Molecular formula
C12H13NO4
Molar mass
235.24 g/mol
Exact mass
235.0845 Da
logP
1.34Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
97628-92-7
SMILES
O=C(O)C1CN(C(=O)OCc2ccccc2)C1
InChIKey
PVJPBKZGIUAESY-UHFFFAOYSA-N
InChI
InChI=1S/C12H13NO4/c14-11(15)10-6-13(7-10)12(16)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)

Weigh it out

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

Names and synonyms

7 names
  • 1,3-Azetidinedicarboxylic acid, 1-(phenylmethyl) ester
  • 3-Hydroxymethylazetidine-1-carboxylic acid benzyl ester
  • N-Carbobenzyloxyazetidine-3-carboxylic acid
  • Azetidine-1,3-dicarboxylic acid monobenzyl ester
  • 1-Phenylmethoxycarbonylazetidine-3-carboxylic acid
  • Benzyl 3-carboxyazetidine-1-carboxylate
  • 1-[(Benzyloxy)carbonyl]azetidine-3-carboxylic acid

Work with 1-Benzyloxycarbonylazetidine-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-N-Cbz-pyrrolidine-3-carboxylic acid188527-21-180 % similar 1-[(Benzyloxy)carbonyl]-3-piperidinecarboxylic acid78190-11-177 % similar (S)-Piperidine-1,3-dicarboxylic acid 1-benzyl ester88466-74-477 % similar 1-Carbobenzoxy-4-piperidinecarboxylic Acid10314-98-476 % similar Benzyl 3-hydroxyazetidine-1-carboxylate128117-22-668 % similar Benzyl 6-oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate31865-25-565 % similar N-4-Cbz-2-piperazinecarboxylic acid64172-98-164 % similar Methyl 1-cbz-azetidine-3-carboxylate757239-60-464 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-4-Benzyl-5-oxo-3-morpholinecarboxylic acid106973-36-8 (R)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate118399-28-3 (2S)-1-(Benzyloxycarbonyl)azetidine-2-carboxylic acid25654-52-8 N-Cbz-L-homoserine lactone35677-89-5 1-[[(Phenylmethoxy)carbonyl]amino]cyclopropanecarboxylic acid84677-06-5 Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate87219-29-2

Elsewhere

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