alpha-Amino-1H-pyrazole-1-propanoic acid
PubChem CID: 151491
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| Compound Synonyms | 2734-48-7, 3-(Pyrazol-1-yl)-L-alanine, 3-(1-Pyrazolyl)-L-alanine, L-3-Pyrazol-1-yl-alanine, beta-Pyrazol-1-ylalanine, (S)-2-amino-3-(1H-pyrazol-1-yl)propanoic acid, (s)-2-amino-3-pyrazol-1-yl-propionic acid, 10162-27-3, beta-(pyrazol-1-yl)-L-alanine, 3-(1H-pyrazol-1-yl)-L-alanine, (2S)-2-amino-3-pyrazol-1-ylpropanoic acid, (2S)-2-amino-3-(1H-pyrazol-1-yl)propanoic acid, alpha-Amino-1H-pyrazole-1-propanoic acid, 3-?(1H-?Pyrazol-?1-?yl)?alanine, (S)-2-Amino-3-(1-pyrazolyl)propionic acid, beta-(Pyrazole-1-yl)-ala, beta-(Pyrazole-1-yl)-L-alanine, (alphaS)-alpha-Amino-1H-pyrazole-1-propanoic Acid, L-beta-(1-Pyrazolyl)alanine, beta-(Pyrazol-1-yl)-L-alanine, beta-Pyrazolyl-L-alanine, MFCD03791063, C01162, SCHEMBL503649, CHEBI:16357, PIGOPELHGLPKLL-YFKPBYRVSA-N, STR07162, AKOS006238829, AC-6716, DB-006230, 1H-Pyrazole-1-propanoic acid, alpha-amino-, CS-0199833, EN300-147192, (S)-2-amino-3-(1H-pyrazol-1-yl)propanoicacid, Q27101866, 3-(1-Pyrazolyl)-L-alanine, produced by Wacker Chemie AG, Burghausen, Germany, >=95.0% (HPLC) |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 81.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCC1 |
| Np Classifier Class | Aminoacids |
| Deep Smiles | OC=O)[C@H]Cncccn5))))))N |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Scaffold Graph Node Level | C1CNNC1 |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-amino-3-pyrazol-1-ylpropanoic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H9N3O2 |
| Scaffold Graph Node Bond Level | c1cn[nH]c1 |
| Inchi Key | PIGOPELHGLPKLL-YFKPBYRVSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | beta-pyrazol-1-yl-alanine |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN, cnn(c)C |
| Compound Name | alpha-Amino-1H-pyrazole-1-propanoic acid |
| Exact Mass | 155.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 155.069 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 155.15 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H9N3O2/c7-5(6(10)11)4-9-3-1-2-8-9/h1-3,5H,4,7H2,(H,10,11)/t5-/m0/s1 |
| Smiles | C1=CN(N=C1)C[C@@H](C(=O)O)N |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Coccinia Grandis (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279