chempirical

(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

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-(Phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13504-85-366 % similar 1-Carbobenzoxy-4-piperidinecarboxylic Acid10314-98-464 % similar 1-(Phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate32159-21-064 % similar (Benzyloxycarbonyl)glycyl-L-proline1160-54-956 % similar N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-554 % similar N-Methyl-N-[(phenylmethoxy)carbonyl]-L-valine42417-65-254 % 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 1-[[(Phenylmethoxy)carbonyl]amino]cyclopropanecarboxylic acid84677-06-5 1-Benzyloxycarbonylazetidine-3-carboxylic acid97628-92-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook