Ethyl pyruvate
PubChem CID: 12041
Connections displayed (default: 10).
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| Compound Synonyms | ETHYL PYRUVATE, Ethyl 2-oxopropanoate, 617-35-6, Ethyl 2-oxopropionate, Pyruvic acid, ethyl ester, Propanoic acid, 2-oxo-, ethyl ester, PYRUVIC ACID ETHYL ESTER, Ethyl pyroracemate, Ethyl acetylformate, FEMA No. 2457, CTI-01, Ethyl methylglyoxylate, Ethyl pyruvate (natural), Ethyl alpha-ketopropionate, CCRIS 4651, 2-oxopropanoic acid ethyl ester, 2-Oxo-propionic acid ethyl ester, EINECS 210-511-2, NSC 48386, NSC-48386, UNII-03O98E01OB, 2-oxopropionic acid ethyl ester, AI3-05636, 03O98E01OB, MFCD00009123, PyruvicAcid-13CEthylEster, ETHYL PYRUVATE [FHFI], DTXSID2060674, FEMA 2457, Pyruvic acid, ethyl ester (8CI), PYRUVIC ACID ETHYL ESTER [MI], ETHYL PYRUVATE (3,3,3-D3), ethyl pyruvic acid, Ethyl 2oxopropanoate, Ethyl 2oxopropionate, ethyl-2-oxopropanoate, ethyl 2-oxo-propionate, Ethyl pyruvate, 98%, Ethyl alphaketopropionate, Ethyl 2-oxopropanoic acid, Ethyl pyruvate (Standard), Ethyl pyruvate, >=97%, Methyl ethoxycarbonyl ketone, CTI01, SCHEMBL25538, 2-oxo-Propionate ethyl ester, ETHYL PYRUVATE [INCI], ethyl 2-oxidanylidenepropanoate, CHEMBL173373, Ethyl pyruvate, >=97%, FG, DTXCID3043104, HY-Y1362R, CHEBI:173421, Ethyl pyruvate, analytical standard, Propanoic acid, 2oxo, ethyl ester, HY-Y1362, NSC48386, BBL027737, s6243, STK802375, AKOS000119054, DB05869, Ethyl pyruvate, natural, >=95%, FG, FP27361, CS-0017821, NS00022514, P0891, EN300-18982, D72526, A833398, 2-Oxopropanoic acid ethyl ester, Ethyl 2-oxopropanoate, BRD-K47738867-001-01-5, Q15632706, F0001-1639, Z104472090, 210-511-2, 9X7 |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 106.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P01375 |
| Iupac Name | ethyl 2-oxopropanoate |
| Prediction Hob | 1.0 |
| Class | Keto acids and derivatives |
| Xlogp | 0.4 |
| Superclass | Organic acids and derivatives |
| Subclass | Alpha-keto acids and derivatives |
| Molecular Formula | C5H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XXRCUYVCPSWGCC-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | 0.014 |
| Rotatable Bond Count | 3.0 |
| State | Liquid |
| Logd | 0.522 |
| Synonyms | Ethyl pyruvic acid, 2-oxo-Propionic acid ethyl ester, 2-oxo-Propionate ethyl ester, Ethyl 2-oxopropanoate, Ethyl 2-oxopropionate, Ethyl pyroracemate, FEMA 2457, Propanoic acid, 2-oxo-, ethyl ester, Pyruvic acid ethyl ester, Pyruvic acid, ethyl ester, 2-Oxopropanoic acid ethyl ester, 2-Oxopropionic acid ethyl ester, Ethyl methylglyoxylate, Methyl ethoxycarbonyl ketone, NSC 48386, Ethyl 2-oxopropanoic acid, Ethyl pyruvate |
| Compound Name | Ethyl pyruvate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 116.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 116.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 116.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -0.5887191999999999 |
| Inchi | InChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3 |
| Smiles | CCOC(=O)C(=O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Alpha-keto acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all