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

C₁₉H₁₇NO₄CAS 136552-06-2323.35 g/mol

Open in Covalent MOL file

Carbamate Carboxylic 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

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

(2R)-1-((9H-Fluoren-9-ylmethoxy)carbonyl)pyrrolidine-2-carboxylic acid101555-62-887 % similar Fmoc-pro-OH71989-31-687 % similar D-Fmoc-pipecolic acid101555-63-985 % similar 1-[(9H-Fluoren-9-ylmethoxy)carbonyl]piperidine-2-carboxylic acid105751-19-785 % similar Fmoc-L-pipecolic acid86069-86-585 % similar N-Alpha-(9-Fluorenylmethyloxycarbonyl)-L-prolinyl-L-proline129223-22-978 % similar (-)-(R)-Fmoc-4-thiazolidinecarboxylic acid423719-54-470 % similar (4S)-1-Fmoc-4-methyl-L-proline1228577-03-469 % 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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