Synonyms
Acetylglycine; DB02713; ACMC-1AMA9; Acetamidoacetic acid; AM81782; Substrate analogue, 15; UNII-RQ6L463N3B component OKJIRPAQVSHGFK-UHFFFAOYSA-N; Ethanoylaminoethanoic acid; DTXSID2043793; TC-066655;
IUPAC Name
2-acetamidoacetic acid;
Molecular Weight
117.104g/mol
Molecular Formula
C4H7NO3;C4H7NO3;
Canonical SMILES
CC(=O)NCC(=O)O;
InChI
InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8);
InChI Key
OKJIRPAQVSHGFK-UHFFFAOYSA-N;
Melting Point
206.0°C;207-209°C;
Solubility
26.3 mg/mL at 15 °C;
Storage
0-6°C
Complexity
110
Covalently-Bonded Unit Count
1
EC Number
208-839-6
Exact Mass
117.043g/mol
H-Bond Acceptor
3
H-Bond Donor
2
Heavy Atom Count
8
Monoisotopic Mass
117.043g/mol
NSC Number
7605
Rotatable Bond Count
2
Topological Polar Surface Area
66.4A^2
