2,3,-Dihydroxybenzoylserine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.

Hippuric acids

Organic compounds

Benzenoids

Benzene and substituted derivatives

Benzamides

Calculated Property

kind Value Source
logP 0.33 ALOGPS
logS -1.6 ALOGPS
Water Solubility 5.76e+00 g/l ALOGPS
logP 0.09 ChemAxon
IUPAC Name (2S)-2-[(2,3-dihydroxyphenyl)formamido]-3-hydroxypropanoic acid ChemAxon
Traditional IUPAC Name 2,3,-dihydroxybenzoylserine ChemAxon
Molecular Weight 241.1974 ChemAxon
Monoisotopic Weight 241.058637089 ChemAxon
SMILES [H][C@@](CO)(NC(=O)C1=C(O)C(O)=CC=C1)C(O)=O ChemAxon
Molecular Formula C10H11NO6 ChemAxon
InChI InChI=1S/C10H11NO6/c12-4-6(10(16)17)11-9(15)5-2-1-3-7(13)8(5)14/h1-3,6,12-14H,4H2,(H,11,15)(H,16,17)/t6-/m0/s1 ChemAxon
InChIKey InChIKey=VDTYHTVHFIIEIL-LURJTMIESA-N ChemAxon
Polar Surface Area (PSA) 127.09 ChemAxon
Refractivity 56.12 ChemAxon
Polarizability 22.06 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 6 ChemAxon
H Bond Donor Count 5 ChemAxon
pKa (strongest acidic) 2.98 ChemAxon
pKa (strongest basic) -2 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Neutrophil gelatinase-associated lipocalin : in Human