D-2-Furylalanine

C₇H₉NO₃CAS 110772-46-8155.15 g/mol

Open in Covalent MOL file

Carboxylic acid Primary 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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

110772-46-8

SMILES

C1=COC(=C1)C[C@H](C(=O)O)N

InChIKey

RXZQHZDTHUUJQJ-ZCFIWIBFSA-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-/m1/s1

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

Names and synonyms

1 names

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

Work with D-2-Furylalanine

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 acid270263-05-357 % similar Phenylalanine63-91-257 % similar D-Phenylalanine673-06-357 % similar D-Tyrosine556-02-551 % similar Dl-tyrosine556-03-651 % similar Tyrosine60-18-451 % similar 2-Thienylalanine2021-58-151 % similar (±)-O-Tyrosine2370-61-851 % similar

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

Same formula

3-Furan-2-ylalanine127682-08-0 Methacryloyloxyethyl isocyanate30674-80-7 Ethyl 5-methylisoxazole-3-carboxylate3209-72-1 Ammonium salicylate528-94-9

Elsewhere

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