2-Amino-5-[(1-carboxy-2-hydroxyethyl)amino]-5-oxopentanoic acid
PubChem CID: 5317735
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| Compound Synonyms | SCHEMBL21404897 |
|---|---|
| Topological Polar Surface Area | 150.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 280.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-5-[(1-carboxy-2-hydroxyethyl)amino]-5-oxopentanoic acid |
| Prediction Hob | 0.0 |
| Xlogp | -4.8 |
| Molecular Formula | C8H14N2O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SQBNIUOYNOKDTI-UHFFFAOYSA-N |
| Fcsp3 | 0.625 |
| Logs | -3.3 |
| Rotatable Bond Count | 7.0 |
| Logd | -0.36 |
| Compound Name | 2-Amino-5-[(1-carboxy-2-hydroxyethyl)amino]-5-oxopentanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 234.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.085 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 234.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.8726104000000003 |
| Inchi | InChI=1S/C8H14N2O6/c9-4(7(13)14)1-2-6(12)10-5(3-11)8(15)16/h4-5,11H,1-3,9H2,(H,10,12)(H,13,14)(H,15,16) |
| Smiles | C(CC(=O)NC(CO)C(=O)O)C(C(=O)O)N |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Santalum Album (Plant) Rel Props:Source_db:cmaup_ingredients