chempirical

1-(9H-Fluoren-9-ylmethyl) 1,3-azetidinedicarboxylate

C19H17NO4CAS 193693-64-0323.35 g/mol

Open in Covalent MOL file
OHONOO
CarbamateCarboxylic acid

Properties

Molecular formula
C19H17NO4
Molar mass
323.35 g/mol
Exact mass
323.1158 Da
logP
2.95Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
193693-64-0
SMILES
O=C(O)C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIKey
QDEJCUHGSHSYQH-UHFFFAOYSA-N
InChI
InChI=1S/C19H17NO4/c21-18(22)12-9-20(10-12)19(23)24-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17H,9-11H2,(H,21,22)

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Names and synonyms

4 names
  • 1,3-Azetidinedicarboxylic acid, 1-(9H-fluoren-9-ylmethyl) ester
  • 1-Fmoc-Azetidine-3-carboxylicacid
  • 1-[[(9H-Fluoren-9-yl)methoxy]carbonyl]azetidine-3-carboxylic acid
  • 1-Fmoc-Azetidine-3-carboxylic acid

Work with 1-(9H-Fluoren-9-ylmethyl) 1,3-azetidinedicarboxylate

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

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-alanine84000-07-762 % similar (4S)-1-Fmoc-4-methyl-L-proline1228577-03-462 % similar 1-Benzyloxycarbonylazetidine-3-carboxylic acid97628-92-761 % similar N-(9-Fluorenylmethoxycarbonyl)-D-proline101555-62-861 % similar Fmoc-pro-oh71989-31-661 % similar D-Fmoc-pipecolic acid101555-63-960 % similar Fmoc-N-methyl-D-valine103478-58-660 % similar 1-[(9H-Fluoren-9-ylmethoxy)carbonyl]piperidine-2-carboxylic acid105751-19-760 % similar

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

Same formula

N-(2,5-Dimethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide92-73-9

Elsewhere

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