chempirical

Allylglycine

C5H9NO2CAS 7685-44-1115.13 g/mol

Open in Covalent MOL file
NH2OOH
AlkeneCarboxylic acidPrimary amine

Properties

Molecular formula
C5H9NO2
Molar mass
115.13 g/mol
Exact mass
115.0633 Da
Melting point
255–258 °C (decomposes)
logP
-0.03Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
7685-44-1
SMILES
C=CCC(N)C(=O)O
InChIKey
WNNNWFKQCKFSDK-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)

Weigh it out

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

Names and synonyms

12 names
  • 4-Pentenoic acid, 2-amino-
  • 4-Pentenoic acid, 2-amino-, DL-
  • 4-Pentenoic acid, 2-amino-, (±)-
  • 2-Amino-4-pentenoic acid
  • DL-Allylglycine
  • DL-2-Amino-4-pentenoic acid
  • DL-C-Allylglycine
  • DL-α-Allylglycine
  • 2-Allylglycine
  • Allyl-C-glycine
  • NSC 20898
  • α-Allylglycine

Work with 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

Similar compounds

D-2-Allylglycine hydrochloride108412-04-089 % similar 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 Cystine923-32-055 % similar 2-Methyl-4-pentenoic acid1575-74-255 % 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-Aminocyclobutanecarboxylic acid22264-50-2

Elsewhere

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