L-5,5-Dimethylthiazolidine-4-carboxylic acid

C₆H₁₁NO₂SCAS 72778-00-8161.22 g/mol

Open in Covalent MOL file

Carboxylic acid Secondary amine Sulfide

Properties

Molecular formula: C₆H₁₁NO₂S
Molar mass: 161.22 g/mol
Exact mass: 161.0510 Da
logP: 0.51Crippen estimate
Polar surface area: 49.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1
Stereocentres: Rin 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 39 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

72778-00-8

SMILES

CC1([C@H](NCS1)C(=O)O)C

InChIKey

PMQQFSDIECYOQV-SCSAIBSYSA-N

InChI

InChI=1S/C6H11NO2S/c1-6(2)4(5(8)9)7-3-10-6/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m1/s1

Weigh it out

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

Names and synonyms

1 names

5,5-Dimethylthiazolidine-4-carboxylic acid, (R)-

Work with L-5,5-Dimethylthiazolidine-4-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

3-((Acetamidomethyl)sulfanyl)-N-(((9H-fluoren-9-yl)methoxy)carbonyl)-L-valine201531-76-242 % similar L-Valine, 3,3′-dithiobis-113626-33-842 % similar 1,4-Dithia-7-azaspiro[4.4]nonane-8-carboxylic acid, hydrobromide (1:1), (8S)-75776-79-339 % similar L-Thioproline34592-47-739 % similar 4-Thiazolidinecarboxylic acid444-27-939 % similar Boc-D-abu-oh45121-22-037 % similar 2,2-Dimethyl cyclopropyl carboxylic acid75885-59-537 % similar (S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid666832-71-937 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

S-Allylcysteine21593-77-1 2-(tert-Butylsulfonyl)acetonitrile81536-18-7

Elsewhere

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