(2S)-2-amino-5-guanidinopentanoate
PubChem CID: 5287702
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| Compound Synonyms | l arginine, L-Isomer arginine, Arginine, L isomer, Arginine, L-isomer, Hydrochloride, arginine, L-arginine cation, arginine(1+), L-argininium(1+), L-arginine monocation, (2S)-2-amino-5-guanidinopentanoate, (2S)-2-amino-5-(carbamimidamido)pentanoate, (2S)-2-ammonio-5-guanidiniopentanoate, Monohydrate DL-arginine acetate, DL Arginine acetate, monohydrate, DL-Arginine acetate, monohydrate, (2S)-2-ammonio-5-Guanidiniopentanoic acid, amino{[(4S)-4-amino-4-carboxybutyl]amino}methaniminium |
|---|---|
| Topological Polar Surface Area | 129.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 176.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(4S)-4-amino-4-carboxybutyl]-(diaminomethylidene)azanium |
| Prediction Hob | 1.0 |
| Xlogp | -4.2 |
| Molecular Formula | C6H15N4O2+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | ODKSFYDXXFIFQN-BYPYZUCNSA-O |
| Fcsp3 | 0.6666666666666666 |
| Logs | -1.47 |
| Rotatable Bond Count | 5.0 |
| Logd | -1.455 |
| Compound Name | (2S)-2-amino-5-guanidinopentanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 175.12 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 175.12 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 175.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.1156856000000004 |
| Inchi | InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1 |
| Smiles | C(C[C@@H](C(=O)O)N)C[NH+]=C(N)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Juncea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Sinapis Alba (Plant) Rel Props:Source_db:cmaup_ingredients