Stizolobinic acid

5-[(2S)-2-amino-2-carboxyethyl]-6-oxopyran-2-carboxylic acid

Also Known As: Stizolobinic acid|Stizolobinate|L-stizolobinic acid|alpha-Amino-6-carboxy-2-oxo-2H-pyran-3-propionic acid|5-[(2S)-2-amino-2-carboxyethyl]-6-oxopyran-2-carboxylic acid|3-[(2s)-2-amino-2-carboxyethyl]-2-oxo-2h-pyran-6-carboxylic acid|(alphaS)-alpha-Amino-6-carboxy-2-oxo-2H-pyran-3-propanoic acid|2H-Pyran-3-propanoic acid, alpha-amino-6-carboxy-2-oxo-, (S)-|5-((2S)-2-amino-2-carboxyethyl)-6-oxopyran-2-carboxylic acid|5-((2S)-2-amino-2-carboxy-ethyl)-6-oxo-pyran-2-carboxylic acid|5-[(2S)-2-amino-2-carboxy-ethyl]-6-oxo-pyran-2-carboxylic acid|2H-PYRAN-3-PROPANOIC ACID, .ALPHA.-AMINO-6-CARBOXY-2-OXO-, (S)-|2H-PYRAN-3-PROPIONIC ACID, .ALPHA.-AMINO-6-CARBOXY-2-OXO-, (S)-|2H-PYRAN-3-PROPIONIC ACID, .ALPHA.-AMINO-6-CARBOXY-2-OXO-, L-|5-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-6-oxopyran-2-carboxylic acid|2H-PYRAN-3-PROPANOIC ACID, .ALPHA.-AMINO-6-CARBOXY-2-OXO-, (.ALPHA.S)-

Molecular Formula	C9H9NO6
Molecular Weight	227.04298 g/mol
LogP	-2.8
Topological Polar Surface Area	127.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	227.04298
Monoisotopic Mass	227.04298
Heavy Atoms	16
Complexity	408.0

Chemical Identifiers

CAS Number	2719-70-2
SMILES	C1=C(C(=O)OC(=C1)C(=O)O)C[C@@H](C(=O)O)N
InChIKey	GHFJNBYZGVNAOV-YFKPBYRVSA-N