(2R)-2-amino-4-[(2-amino-2-iminoethyl)amino]butanoic acid
PubChem CID: 5319955
Connections displayed (default: 10).
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| Topological Polar Surface Area | 125.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 171.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-amino-4-[(2-amino-2-iminoethyl)amino]butanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -4.4 |
| Molecular Formula | C6H14N4O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OBBGOBVJGCAAOZ-SCSAIBSYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -1.27 |
| Rotatable Bond Count | 6.0 |
| Logd | -2.06 |
| Compound Name | (2R)-2-amino-4-[(2-amino-2-iminoethyl)amino]butanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 174.112 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 174.112 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 174.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.2416856000000003 |
| Inchi | InChI=1S/C6H14N4O2/c7-4(6(11)12)1-2-10-3-5(8)9/h4,10H,1-3,7H2,(H3,8,9)(H,11,12)/t4-/m1/s1 |
| Smiles | C(CNCC(=N)N)[C@H](C(=O)O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asparagus Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Medicago Sativa (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:cmaup_ingredients