Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as methionine and derivatives. These are organic compounds derived from the alpha-amino acid methionine.

Methionine and derivatives

Organic compounds

Organic acids and derivatives

Carboxylic acids and derivatives

Amino acids, peptides, and analogues

Calculated Property

kind Value Source
logP -0.03 ALOGPS
logS -1.4 ALOGPS
Water Solubility 7.08e+00 g/l ALOGPS
logP 0.36 ChemAxon
IUPAC Name (2S)-2-(carboxyamino)-4-(methylsulfanyl)butanoic acid ChemAxon
Traditional IUPAC Name N-carboxy-L-methionine ChemAxon
Molecular Weight 193.221 ChemAxon
Monoisotopic Weight 193.040878535 ChemAxon
SMILES [H][C@@](CCSC)(NC(O)=O)C(O)=O ChemAxon
Molecular Formula C6H11NO4S ChemAxon
InChI InChI=1S/C6H11NO4S/c1-12-3-2-4(5(8)9)7-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 ChemAxon
Polar Surface Area (PSA) 86.63 ChemAxon
Refractivity 43.88 ChemAxon
Polarizability 18.44 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 3.48 ChemAxon
Physiological Charge -2 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Thymidylate synthase : in Escherichia coli (strain K12)
  • Urease subunit alpha : in Bacillus pasteurii
  • Urease subunit beta : in Bacillus pasteurii
  • Urease subunit gamma : in Bacillus pasteurii
  • Light-harvesting protein B-800/850 alpha chain : in Rhodopseudomonas acidophila
  • Light-harvesting protein B-800/850 beta chain : in Rhodopseudomonas acidophila
  • Probable rRNA methylase : in Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)