(2S)-1-(Benzyloxycarbonyl)azetidine-2-carboxylic acid

C12H13NO4CAS 25654-52-8235.24 g/mol

Open in Covalent MOL file
OOHNOO
CarbamateCarboxylic acid

Properties

Molecular formula
C12H13NO4
Molar mass
235.24 g/mol
Exact mass
235.0845 Da
logP
1.48Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
25654-52-8
SMILES
O=C(O)[C@@H]1CCN1C(=O)OCc1ccccc1
InChIKey
IUWBMOQXJOJWBF-JTQLQIEISA-N
InChI
InChI=1S/C12H13NO4/c14-11(15)10-6-7-13(10)12(16)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)/t10-/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • 1,2-Azetidinedicarboxylic acid, 1-(phenylmethyl) ester, (2S)-
  • 1,2-Azetidinedicarboxylic acid, 1-benzyl ester, L-(-)-
  • 1,2-Azetidinedicarboxylic acid, 1-(phenylmethyl) ester, (S)-
  • (S)-N-(Benzyloxycarbonyl)azetidine-2-carboxylic acid
  • L-Cbz-Azetidine-2-carboxylic acid

Work with (2S)-1-(Benzyloxycarbonyl)azetidine-2-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

Benzyloxycarbonyl-L-proline1148-11-485 % similar N-(Benzyloxycarbonyl)-D-proline6404-31-585 % similar 1-Cbz-2-piperidinecarboxylic acid28697-07-683 % similar (D)-N-(Benzyloxycarbonyl)pipecolic acid28697-09-883 % similar 1-Carbobenzoxy-2-piperidinecarboxylic Acid71170-88-283 % similar 1-(Phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13504-85-366 % similar (2S,4S)-1-((Benzyloxy)carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid13504-86-466 % similar (3S)-2-Carbobenzoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid79261-58-866 % 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 N-Cbz-L-homoserine lactone35677-89-5 1-[[(Phenylmethoxy)carbonyl]amino]cyclopropanecarboxylic acid84677-06-5 Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate87219-29-2 1-Benzyloxycarbonylazetidine-3-carboxylic acid97628-92-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook