chempirical

(S)-N-Fmoc-azetidine-2-carboxylic acid

C19H17NO4CAS 136552-06-2323.35 g/mol

Open in Covalent MOL file
NOOHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C19H17NO4
Molar mass
323.35 g/mol
Exact mass
323.1158 Da
logP
3.09Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
136552-06-2
SMILES
C1CN([C@@H]1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
BXRZCDISGRVJCA-KRWDZBQOSA-N
InChI
InChI=1S/C19H17NO4/c21-18(22)17-9-10-20(17)19(23)24-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,21,22)/t17-/m0/s1

Weigh it out

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

Work with (S)-N-Fmoc-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

Fmoc-pro-oh71989-31-687 % similar 1-[(9H-Fluoren-9-ylmethoxy)carbonyl]piperidine-2-carboxylic acid105751-19-785 % similar N-Alpha-(9-Fluorenylmethyloxycarbonyl)-L-prolinyl-L-proline129223-22-978 % similar (4S)-1-Fmoc-4-methyl-L-proline1228577-03-469 % similar N-Fmoc-D-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid130309-33-069 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-norvaline252049-05-165 % similar Fmoc-N-methyl-L-norleucine112883-42-863 % similar Fmoc-oic-oh130309-37-463 % similar

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

Same formula

1-(9H-Fluoren-9-ylmethyl) 1,3-azetidinedicarboxylate193693-64-0 N-(2,5-Dimethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide92-73-9

Elsewhere

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