3-Furan-2-ylalanine

C7H9NO3CAS 127682-08-0155.15 g/mol

Open in Covalent MOL file
OOOHH2N
Carboxylic acidPrimary amine

Properties

Molecular formula
C7H9NO3
Molar mass
155.15 g/mol
Exact mass
155.0582 Da
logP
0.23Crippen estimate
Polar surface area
76.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
127682-08-0
SMILES
C1=COC(=C1)C[C@@H](C(=O)O)N
InChIKey
RXZQHZDTHUUJQJ-LURJTMIESA-N
InChI
InChI=1S/C7H9NO3/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)/t6-/m0/s1

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Names and synonyms

1 names
  • L-2-Furylalanine

Work with 3-Furan-2-ylalanine

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.

D-2-Furylalanine110772-46-8Enantiomer

Similar compounds

(βS)-β-Amino-2-furanbutanoic acid270263-05-357 % similar DL-Phenylalanine150-30-157 % similar Phenylalanine63-91-257 % similar D-Phenylalanine673-06-357 % similar D-Tyrosine556-02-551 % similar DL-Tyrosine556-03-651 % similar Tyrosine60-18-451 % similar L-4,4'-Biphenylalanine155760-02-451 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methacryloyloxyethyl isocyanate30674-80-7 Ethyl 5-methylisoxazole-3-carboxylate3209-72-1 Ethyl 5-methylisoxazole-4-carboxylate51135-73-0 Ammonium salicylate528-94-9 3-Amino-3-(furan-2-yl)propanoic acid73456-99-2

Elsewhere

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