2-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]acetic acid
PubChem CID: 55287481
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| Compound Synonyms | AKOS006357045 |
|---|---|
| Topological Polar Surface Area | 87.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 178.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]acetic acid |
| Prediction Hob | 1.0 |
| Xlogp | -1.8 |
| Molecular Formula | C5H9N3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FJESSDHMDUSARB-GSVOUGTGSA-N |
| Fcsp3 | 0.6 |
| Logs | -0.659 |
| Rotatable Bond Count | 2.0 |
| Logd | -1.217 |
| Compound Name | 2-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]acetic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 143.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 143.069 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 143.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.16049480000000016 |
| Inchi | InChI=1S/C5H9N3O2/c6-5-7-2-3(8-5)1-4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)/t3-/m1/s1 |
| Smiles | C1[C@H](NC(=N1)N)CC(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lactuca Floridana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Scorzoneroides Autumnalis (Plant) Rel Props:Source_db:cmaup_ingredients