(-)-(R)-Fmoc-4-thiazolidinecarboxylic acid

C₁₉H₁₇NO₄SCAS 423719-54-4355.41 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Sulfide

Properties

Molecular formula: C₁₉H₁₇NO₄S
Molar mass: 355.41 g/mol
Exact mass: 355.0878 Da
logP: 3.40Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation97.4% of notifiers
H319 Causes serious eye irritation97.4% of notifiers
H335 May cause respiratory irritation97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

423719-54-4

SMILES

C1[C@H](N(CS1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O

InChIKey

HUWNZLPLVVGCMO-KRWDZBQOSA-N

InChI

InChI=1S/C19H17NO4S/c21-18(22)17-10-25-11-20(17)19(23)24-9-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,21,22)/t17-/m0/s1

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

Names and synonyms

1 names

Fmoc-thz-oh

Work with (-)-(R)-Fmoc-4-thiazolidinecarboxylic 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

(S)-N-Fmoc-azetidine-2-carboxylic acid136552-06-270 % similar (2R)-1-((9H-Fluoren-9-ylmethoxy)carbonyl)pyrrolidine-2-carboxylic acid101555-62-867 % similar Fmoc-pro-OH71989-31-667 % similar D-Fmoc-pipecolic acid101555-63-966 % similar 1-[(9H-Fluoren-9-ylmethoxy)carbonyl]piperidine-2-carboxylic acid105751-19-766 % similar Fmoc-L-pipecolic acid86069-86-566 % similar (4S)-1-Fmoc-4-methyl-L-proline1228577-03-465 % similar N-Fmoc-D-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid130309-33-065 % similar

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

Elsewhere

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