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2,5-Dihydrophenylalanine

PubChem CID: 441444

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Compound Synonyms 2,5-Dihydrophenylalanine, 16055-12-2, L-2,5-Dihydrophenylalanine, 2,5-dihydrophenyl-L-alanine, L-3-(2,5-Cyclohexadienyl)alanine, (2S)-2-amino-3-cyclohexa-1,4-dien-1-ylpropanoic acid, (S)-alpha-Amino-1,4-cyclohexadiene-1-propanoic acid, CHEBI:27940, 3-(cyclohexa-1,4-dien-1-yl)-L-alanine, (2S)-2-amino-3-(cyclohexa-1,4-dien-1-yl)propanoic acid, Antibiotic U 51738, 2,5-dihydro-L-phenylalanine, SCHEMBL3917899, CHEMBL3251934, FSZMHEMPLAVBQZ-QMMMGPOBSA-N, DTXSID001235696, 3-(1,4-cyclohexadienyl)-L-alanine, C08273, ALANINE, 3-(2,5-CYCLOHEXADIENYL)-, L-, Q27103413, 1,4-Cyclohexadiene-1-propionic acid, alpha-amino-, L-, (I+/-S)-I+/--Amino-1,4-cyclohexadiene-1-propanoic acid
Topological Polar Surface Area 63.3
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 12.0
Isotope Atom Count 0.0
Molecular Complexity 231.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name (2S)-2-amino-3-cyclohexa-1,4-dien-1-ylpropanoic acid
Prediction Hob 1.0
Xlogp -1.6
Molecular Formula C9H13NO2
Prediction Swissadme 0.0
Inchi Key FSZMHEMPLAVBQZ-QMMMGPOBSA-N
Fcsp3 0.4444444444444444
Logs -2.747
Rotatable Bond Count 3.0
Logd 0.974
Compound Name 2,5-Dihydrophenylalanine
Prediction Hob Swissadme 0.0
Exact Mass 167.095
Formal Charge 0.0
Monoisotopic Mass 167.095
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 167.2
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol 0.33561040000000003
Inchi InChI=1S/C9H13NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-2,5,8H,3-4,6,10H2,(H,11,12)/t8-/m0/s1
Smiles C1C=CCC(=C1)C[C@@H](C(=O)O)N
Nring 2.0
Defined Bond Stereocenter Count 0.0