2-Amino-5-[[amino(nitramido)methylidene]amino]pentanoic acid
PubChem CID: 4367
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| Compound Synonyms | Nomega-Nitro-L-arginine, 137433-32-0, 2-amino-5-[[amino(nitramido)methylidene]amino]pentanoic acid, nw-nitro-l-arginine, H-D-Arg(NO)-OH, Arginine, .omega.-nitro-, nitroarginin, Nw-Nitro-D-arginine, Norvaline, (+)-, Arginine, (+)-, 2-amino-5-(N'-nitrocarbamimidamido)pentanoic acid, SCHEMBL881062, DTXSID10859703, HMS3744I07, NSC53662, AKOS024350635, NCGC00015742-02, NCGC00015742-03, NCGC00094967-01, NCGC00094967-02, SY036177, DB-045595, DB-054860, 2-Amino-5-(3-nitroguanidino)pentanoic acid, EN300-152237, (E)-N~5~-[Amino(nitroamino)methylidene]ornithine, SR-01000075476, SR-01000075476-1 |
|---|---|
| Topological Polar Surface Area | 160.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 261.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-5-[[amino(nitramido)methylidene]amino]pentanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -3.6 |
| Molecular Formula | C6H13N5O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MRAUNPAHJZDYCK-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -1.843 |
| Rotatable Bond Count | 6.0 |
| Logd | -0.607 |
| Compound Name | 2-Amino-5-[[amino(nitramido)methylidene]amino]pentanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 219.097 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 219.097 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 219.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.6221538000000002 |
| Inchi | InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10) |
| Smiles | C(CC(C(=O)O)N)CN=C(N)N[N+](=O)[O-] |
| 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