Albizziine
PubChem CID: 348153
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| Compound Synonyms | ALBIZZIINE, 2-amino-3-(carbamoylamino)propanoic acid, Propionic acid, 2-amino-3-ureido-, 2-amino-3-ureidopropanoic acid, NSC407273, H-beta-((Aminocarbonyl)amino)-Ala-OH, H-Dap(carbamoyl)-OH, L-Albizzinine, L-AMINO-NEIDOPROPIONIC ACID, Spectrum_000987, SpecPlus_000491, Spectrum2_000459, Spectrum3_001106, Spectrum4_001937, Spectrum5_000851, BSPBio_002812, KBioGR_002315, KBioSS_001467, DivK1c_006587, SCHEMBL439790, SPBio_000538, CHEMBL1330613, 2-amino-3-ureido-propionic acid, KBio1_001531, KBio2_001467, KBio2_004035, KBio2_006603, KBio3_002032, CHEBI:185775, 3-[(Aminocarbony)amino]-L-alanine, Propanoic acid, 2-amino-3-ureido-, CCG-38699, NSC132089, NSC-407273, NCGC00094797-01, NCGC00094797-02, NS00043013, ADC92964-12E5-4021-A5F6-F1A810E7151D |
|---|---|
| Topological Polar Surface Area | 118.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 147.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P28482, Q9Y6L6, Q9NPD5 |
| Iupac Name | 2-amino-3-(carbamoylamino)propanoic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT282 |
| Xlogp | -4.6 |
| Molecular Formula | C4H9N3O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GZYFIMLSHBLMKF-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.429 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.534 |
| Compound Name | Albizziine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 147.064 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 147.064 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 147.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.9561692000000002 |
| Inchi | InChI=1S/C4H9N3O3/c5-2(3(8)9)1-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10) |
| Smiles | C(C(C(=O)O)N)NC(=O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Albizia Julibrissin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all