D-Allylglycine

C5H9NO2CAS 54594-06-8115.13 g/mol

Open in Covalent MOL file
OOHNH2
AlkeneCarboxylic acidPrimary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
54594-06-8
SMILES
C=CC[C@H](C(=O)O)N
InChIKey
WNNNWFKQCKFSDK-SCSAIBSYSA-N
InChI
InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)/t4-/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • (+)-Allylglycine

Work with D-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.

s-Allylglycine16338-48-0Enantiomer Allylglycine7685-44-1Stereo not defined L-2-Allylglycine hydrochloride195316-72-4Salt, enantiomer D-2-Allylglycine hydrochloride108412-04-0Salt

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook