chempirical

3-Amino-3-(furan-2-yl)propanoic acid

C7H9NO3CAS 73456-99-2155.15 g/mol

Open in Covalent MOL file
OOOHNH2
Carboxylic acidPrimary amine

Properties

Molecular formula
C7H9NO3
Molar mass
155.15 g/mol
Exact mass
155.0582 Da
logP
0.75Crippen estimate
Polar surface area
76.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

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
73456-99-2
SMILES
C1=COC(=C1)C(CC(=O)O)N
InChIKey
YIKVKIOGYSPIMP-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO3/c8-5(4-7(9)10)6-2-1-3-11-6/h1-3,5H,4,8H2,(H,9,10)

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Names and synonyms

1 names
  • 3-Amino-3-furan-2-yl-propionic acid

Work with 3-Amino-3-(furan-2-yl)propanoic 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

(βS)-β-Amino-2-furanbutanoic acid270263-05-359 % similar (+)-3-Amino-3-phenylpropanoic acid13921-90-958 % similar (-)-3-Amino-3-phenylpropanoic acid40856-44-858 % similar DL-β-Phenylalanine614-19-758 % similar (3S)-3-Amino-3-phenylpropanoic acid hydrochloride83649-47-254 % similar (3R)-3-Amino-3-phenylpropanoic acid hydrochloride83649-48-354 % similar (R)-3-Amino-3-(3-chlorophenyl)propanoic acid262429-49-254 % similar 3-Amino-3-(3-chlorophenyl)propanoic acid68208-21-954 % similar

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

Same formula

D-2-Furylalanine110772-46-8 3-Furan-2-ylalanine127682-08-0 Methacryloyloxyethyl isocyanate30674-80-7 Ethyl 5-methylisoxazole-3-carboxylate3209-72-1 Ethyl 5-methylisoxazole-4-carboxylate51135-73-0 Ammonium salicylate528-94-9

Elsewhere

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