s-Allylglycine

C₅H₉NO₂CAS 16338-48-0115.13 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Primary amine

Properties

Molecular formula: C₅H₉NO₂
Molar mass: 115.13 g/mol
Exact mass: 115.0633 Da
logP: -0.03Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
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 43 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

16338-48-0

SMILES

C=CC[C@@H](C(=O)O)N

InChIKey

WNNNWFKQCKFSDK-BYPYZUCNSA-N

InChI

InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)/t4-/m0/s1

Weigh it out

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

Names and synonyms

1 names

L-Allylglycine

Reactions

ASYMMETRIC SYNTHESIS OF α-AMINO ACIDS BY THE ALKYLATION OF PSEUDOEPHEDRINE GLYCINAMIDE: L-ALLYLGLYCINE AND N-BOC-L-ALLYLGLYCINE (Acetamide, 2-amino-N-(2-hydroxy-1-methyl-2-phenylethyl)-N-methyl-, [R-(R,R)]-, 4-Pentenoic acid, 2-amino-, (R)- and 4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)-))product

Work with s-Allylglycine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

D-Allylglycine54594-06-8Enantiomer Allylglycine7685-44-1Stereo not defined L-2-Allylglycine hydrochloride195316-72-4Salt D-2-Allylglycine hydrochloride108412-04-0Salt, enantiomer

Similar compounds

2-(2-Propen-1-yl)propanedioic acid2583-25-761 % similar S-Allylcysteine21593-77-161 % similar Alliin556-27-457 % similar D-Cystine349-46-255 % similar Cystine56-89-355 % similar 2-Azaniumyl-3-((2-azaniumyl-2-carboxylatoethyl)disulfanyl)propanoate923-32-055 % similar 2-Methyl-4-pentenoic acid1575-74-255 % similar DL-Serine302-84-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Methyldiacetamide1113-68-4 1-(3-Hydroxy-1-azetidinyl)ethanone118972-96-6 Methyl 3-amino-2-butenoate14205-39-1 Proline147-85-3 N-(Hydroxymethyl)-2-pyrrolidone15438-71-8 (5S)-5-(Hydroxymethyl)-2-pyrrolidinone17342-08-4 N-Methylacetoacetamide20306-75-6 1-Amino-cyclobutanecarboxylic acid22264-16-0

Elsewhere

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