DL-3-Carboxytyrosine
PubChem CID: 199028
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| Compound Synonyms | 3-carboxytyrosine, 3641-49-4, DL-3-Carboxytyrosine, 3-(3-Carboxy-4-hydroxyphenyl)alanine, Tyrosine, 3-carboxy-, DL-, 3-carboxy-L-tyrosine, m-Carboxytyrosin, L-Tyrosine, 3-carboxy-, SCHEMBL180154, DTXSID70957759, AZXBADPWXOWMKQ-ZETCQYMHSA-N, 5-[(2S)-2-AMINO-2-CARBOXYETHYL]-2-HYDROXYBENZOIC ACID, 4303-95-1 |
|---|---|
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 280.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxybenzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -2.3 |
| Molecular Formula | C10H11NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AZXBADPWXOWMKQ-ZETCQYMHSA-N |
| Fcsp3 | 0.2 |
| Logs | -2.69 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.301 |
| Compound Name | DL-3-Carboxytyrosine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 225.064 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 225.064 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 225.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.20556000000000008 |
| Inchi | InChI=1S/C10H11NO5/c11-7(10(15)16)4-5-1-2-8(12)6(3-5)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)(H,15,16)/t7-/m0/s1 |
| Smiles | C1=CC(=C(C=C1C[C@@H](C(=O)O)N)C(=O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Haplophyllum Acutifolium (Plant) Rel Props:Source_db:cmaup_ingredients