Methyl pyruvate
PubChem CID: 11748
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| Compound Synonyms | METHYL PYRUVATE, 600-22-6, Methyl 2-oxopropanoate, Methylpyruvate, Methyl 2-oxopropionate, Pyruvic acid, methyl ester, Pyruvic acid methyl ester, Propanoic acid, 2-oxo-, methyl ester, Methylglyoxylic acid methyl ester, methyl-Pyruvate, 2-oxo-propionic acid methyl ester, 3KJM65G5XL, 2-oxopropanoic acid methyl ester, CHEBI:51850, pyruvic acid methylester, EINECS 209-987-4, METHYL ACETOFORMATE, METHYL PYRORACEMATE, MFCD00008754, NSC-65430, DTXSID9049326, METHYL METHOXYCARBONYL KETONE, PYRORACEMIC ACID METHYL ESTER, NSC 65430, PYRUVIC ACID METHYL ESTER [MI], UNII-3KJM65G5XL, Propanoic acid, 2-oxo-,methyl ester, Tiapride Intermediates, Methyl 2-oxopropanoate #, SCHEMBL27432, methyl 2-oxidanylidenepropanoate, QSPL 174, CHEMBL3185405, DTXCID8029282, 2-oxopropionic acid methyl ester, NSC65430, Tox21_202853, BBL027724, STL146492, AKOS005721076, CS-W013701, FS-4178, Methyl pyruvate, 90%, technical grade, NCGC00260399-01, CAS-600-22-6, FM171262, NS00022475, P0580, EN300-21088, E76480, A832576, Q27122826, F1905-6998, 209-987-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | COC=O)C=O)C |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Keto acids and derivatives |
| Classyfire Subclass | Alpha-keto acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 95.1 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2-oxopropanoate |
| Class | Keto acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 0.0 |
| Superclass | Organic acids and derivatives |
| Subclass | Alpha-keto acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H6O3 |
| Inchi Key | CWKLZLBVOJRSOM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | Methyl 2-oxopropionate, Methylglyoxylic acid methyl ester, Pyruvic acid, methyl ester, Methyl 2-oxopropionic acid, Methylglyoxylate methyl ester, Pyruvate, methyl ester, Methyl pyruvic acid, methyl pyruvate |
| Esol Class | Very soluble |
| Functional Groups | COC(=O)C(C)=O |
| Compound Name | Methyl pyruvate |
| Kingdom | Organic compounds |
| Exact Mass | 102.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 102.032 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 102.09 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H6O3/c1-3(5)4(6)7-2/h1-2H3 |
| Smiles | CC(=O)C(=O)OC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Alpha-keto acids and derivatives |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Spondias Mombin (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698933