Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as n-acyl-aliphatic-alpha amino acids. These are alpha amino acids carrying a N-acylated aliphatic chain.

N-acyl-aliphatic-alpha amino acids

Organic compounds

Organic acids and derivatives

Carboxylic acids and derivatives

Amino acids, peptides, and analogues

Calculated Property

kind Value Source
logP -1.4 ALOGPS
logS -0.24 ALOGPS
Water Solubility 8.46e+01 g/l ALOGPS
logP -1.8 ChemAxon
IUPAC Name (2S)-2-acetamido-3-hydroxypropanoic acid ChemAxon
Traditional IUPAC Name acetylserine ChemAxon
Molecular Weight 147.1293 ChemAxon
Monoisotopic Weight 147.053157781 ChemAxon
SMILES CC(=O)N[C@@H](CO)C(O)=O ChemAxon
Molecular Formula C5H9NO4 ChemAxon
InChI InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1 ChemAxon
Polar Surface Area (PSA) 86.63 ChemAxon
Refractivity 31.48 ChemAxon
Polarizability 13.43 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 3.61 ChemAxon
pKa (strongest basic) -1.5 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Coagulation factor XIII A chain : in Human