2-Amino-5-[(1-hydroxycyclopropyl)amino]-5-oxopentanoic acid
PubChem CID: 4479242
Connections displayed (default: 10).
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| Compound Synonyms | ICA91961, NS00123998 |
|---|---|
| Topological Polar Surface Area | 113.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 14.0 |
| Description | Present in the mod. toxic ink cap mushroom Coprinus atramentarius (common ink cap). Produces an oversensitivity to ethanol in some people. L-Coprine is found in mushrooms. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 250.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-5-[(1-hydroxycyclopropyl)amino]-5-oxopentanoic acid |
| Prediction Hob | 1.0 |
| Class | Carboxylic acids and derivatives |
| Xlogp | -3.4 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C8H14N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OEEZRBUCLFMTLD-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Logs | -4.583 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.027 |
| Synonyms | Coprine, Coprine, L-form, L-Glutamine, N-(1-hydroxycyclopropyl)-, N-(1-Hydroxycyclopropyl)-L-glutamine, N(5)-(1-Hydroxycyclopropyl)-L-glutamine |
| Substituent Name | Alpha-amino acid, Carbocyclic fatty acid, Amino fatty acid, Fatty acyl, Fatty acid, Cyclic alcohol, Cyclopropanol, Organic 1,3-dipolar compound, Propargyl-type 1,3-dipolar organic compound, Monocarboxylic acid or derivatives, Carboxylic acid, Carboximidic acid derivative, Carboximidic acid, Alkanolamine, Hydrocarbon derivative, Primary amine, Organooxygen compound, Organonitrogen compound, Primary aliphatic amine, Carbonyl group, Amine, Aliphatic homomonocyclic compound |
| Compound Name | 2-Amino-5-[(1-hydroxycyclopropyl)amino]-5-oxopentanoic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 202.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.095 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 202.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.1829980000000002 |
| Inchi | InChI=1S/C8H14N2O4/c9-5(7(12)13)1-2-6(11)10-8(14)3-4-8/h5,14H,1-4,9H2,(H,10,11)(H,12,13) |
| Smiles | C1CC1(NC(=O)CCC(C(=O)O)N)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Artemisia Apiacea (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Artemisia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Citrus Erythrosa (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Citrus Tangemna (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Humulus Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Magnolia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Panax Pseudo (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Panax Pseudo-Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients