Amidinoproline
PubChem CID: 11643967
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| Compound Synonyms | AMIDINOPROLINE, 35404-57-0, N-Guanylproline, 1-Guanylproline, L-N-Amidinoproline, N-Amidino-L-proline, Proline, 1-amidino-, (S)-N-Amidinoproline, (2S)-1-carbamimidoylpyrrolidine-2-carboxylic acid, L-Proline, 1-(aminoiminomethyl)-, 4EIW83811H, (S)-1-Carbamimidoylpyrrolidine-2-carboxylic acid, Amidinoproline [INCI], UNII-4EIW83811H, Guanidino-L-proline, N-carbamimidoyl-l-proline, SCHEMBL212486, DTXSID00188892, Q27259490 |
|---|---|
| Topological Polar Surface Area | 90.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 192.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-1-carbamimidoylpyrrolidine-2-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | -0.4 |
| Molecular Formula | C6H11N3O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZXPRYJHVDMWTMA-BYPYZUCNSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -1.139 |
| Rotatable Bond Count | 2.0 |
| Logd | -1.345 |
| Compound Name | Amidinoproline |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 157.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 157.085 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 157.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.4241726 |
| Inchi | InChI=1S/C6H11N3O2/c7-6(8)9-3-1-2-4(9)5(10)11/h4H,1-3H2,(H3,7,8)(H,10,11)/t4-/m0/s1 |
| Smiles | C1C[C@H](N(C1)C(=N)N)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients