(βS)-β-Amino-2-furanbutanoic acid

C8H11NO3CAS 270263-05-3169.18 g/mol

Open in Covalent MOL file
NH2OOHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C8H11NO3
Molar mass
169.18 g/mol
Exact mass
169.0739 Da
logP
0.62Crippen estimate
Polar surface area
76.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Sin 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
270263-05-3
SMILES
N[C@H](CC(=O)O)Cc1ccco1
InChIKey
ZIAIKPBTLUWDMG-LURJTMIESA-N
InChI
InChI=1S/C8H11NO3/c9-6(5-8(10)11)4-7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)/t6-/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • 2-Furanbutanoic acid, β-amino-, (βS)-
  • (S)-3-Amino-4-(2-furyl)butyric acid
  • (S)-3-Amino-4-(2-furyl)butanoic acid
  • (3S)-3-Amino-4-(furan-2-yl)butanoic acid
  • (S)-3-Amino-4-(2-furyl)-butyric acid

Work with (βS)-β-Amino-2-furanbutanoic 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-Amino-3-(furan-2-yl)propanoic acid73456-99-259 % similar β-Aminobenzenebutanoic acid15099-85-158 % similar D-2-Furylalanine110772-46-857 % similar 3-Furan-2-ylalanine127682-08-057 % similar 2-Furanpropanoic acid935-13-755 % similar (S)-3-Amino-4-phenylbutyric acid hydrochloride138165-77-254 % similar (3R)-3-Amino-4-phenylbutanoic acid hydrochloride145149-50-454 % similar (βR)-β-Amino-1-naphthalenebutanoic acid269398-88-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(±)-Norepinephrine138-65-8 Noradrenaline51-41-2 Pyridoxine65-23-6 3,4-Dimethoxy-2-methylpyridine N-oxide72830-07-0 3,4-Dimethoxy-2-pyridinemethanol72830-08-1 Ethyl (ethoxymethylene)cyanoacetate94-05-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook