(2R)-2-amino-2-[(1R)-2-methylidenecyclopropyl]acetic acid
PubChem CID: 124312007
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| Topological Polar Surface Area | 63.3 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 164.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R)-2-amino-2-[(1R)-2-methylidenecyclopropyl]acetic acid |
| Prediction Hob | 1.0 |
| Xlogp | -2.8 |
| Molecular Formula | C6H9NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MPIZVHPMGFWKMJ-RFZPGFLSSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.629 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.176 |
| Compound Name | (2R)-2-amino-2-[(1R)-2-methylidenecyclopropyl]acetic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 127.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 127.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 127.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.2740134000000003 |
| Inchi | InChI=1S/C6H9NO2/c1-3-2-4(3)5(7)6(8)9/h4-5H,1-2,7H2,(H,8,9)/t4-,5-/m1/s1 |
| Smiles | C=C1C[C@H]1[C@H](C(=O)O)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Litchi Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients