(R)-2-phenyl-alanine
PubChem CID: 853460
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| Compound Synonyms | 29738-09-8, (2R)-2-amino-2-phenylpropanoic acid, (R)-2-phenyl-alanine, 2-Phenyl-L-alanine, (R)-2-AMINO-2-PHENYLPROPANOIC ACID, 2-Phenylalanine, Benzeneacetic acid, alpha-amino-alpha-methyl-, (alphaR)- (9CI), DTXSID70357432, MFCD07371948, SCHEMBL220775, DTXCID40308491, HTCSFFGLRQDZDE-SECBINFHSA-N, AKOS022185195, AB33357, (R)-2-AMINO-2-PHENYLPROPANOICACID, CS-0199762, NS00133590, EN300-130519, Q27460877, (R)-2-Amino-2-phenyl-propionic acid (H-D-aMePhg-OH) |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 63.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Aminoacids |
| Deep Smiles | OC=O)[C@@]cccccc6))))))N)C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 175.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-amino-2-phenylpropanoic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -1.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H11NO2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | HTCSFFGLRQDZDE-SECBINFHSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | α-phenylalanine |
| Esol Class | Very soluble |
| Functional Groups | CC(=O)O, CN |
| Compound Name | (R)-2-phenyl-alanine |
| Exact Mass | 165.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 165.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 165.19 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H11NO2/c1-9(10,8(11)12)7-5-3-2-4-6-7/h2-6H,10H2,1H3,(H,11,12)/t9-/m1/s1 |
| Smiles | C[C@@](C1=CC=CC=C1)(C(=O)O)N |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Datura Stramonium (Plant) Rel Props:Reference:ISBN:9788172361150 - 2. Outgoing r'ship
FOUND_INto/from Hyoscyamus Niger (Plant) Rel Props:Reference:ISBN:9788172361150