L-2-Allylglycine hydrochloride

C₅H₁₀ClNO₂CAS 195316-72-4151.59 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Primary amine

Properties

Molecular formula: C₅H₁₀ClNO₂
Molar mass: 151.59 g/mol
Exact mass: 151.0400 Da
logP: 0.40Crippen 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 irritation66.7% of notifiers

Aggregated from 3 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

195316-72-4

SMILES

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

InChIKey

DIDZZOWASZMNQW-WCCKRBBISA-N

InChI

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

Weigh it out

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

Work with L-2-Allylglycine hydrochloride

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.

Allylglycine7685-44-1Free base, stereo not defined D-Allylglycine54594-06-8Free base, enantiomer s-Allylglycine16338-48-0Free base D-2-Allylglycine hydrochloride108412-04-0Enantiomer

Similar compounds

Cystine dihydrochloride30925-07-659 % similar L-Cystine, hydrochloride (1:?)34760-60-659 % similar (S)-(+)-2,3-Diaminopropionic acid hydrochloride1482-97-956 % similar DL-2,3-Diaminopropionic acid hydrochloride54897-59-556 % similar DL-2,3-Diaminopropionic acid hydrochloride6018-55-956 % similar (R)-(-)-2,3-Diaminopropionic acid hydrochloride6018-56-056 % similar S-Allylcysteine21593-77-156 % similar 2-(2-Propen-1-yl)propanedioic acid2583-25-755 % similar

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

Same formula

Methyl azetidine-3-carboxylate hydrochloride100202-39-9 Methyl 1-aminocyclopropane-1-carboxylate hydrochloride72784-42-0 1-Aminocyclobutanecarboxylic acid hydrochloride98071-16-0

Elsewhere

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