chempirical

Nooglutyl

C11H12N2O6CAS 112193-35-8268.23 g/mol

Open in Covalent MOL file
OHONHONOHOOH
Carboxylic acidPhenol

Properties

Molecular formula
C11H12N2O6
Molar mass
268.23 g/mol
Exact mass
268.0695 Da
logP
0.41Crippen estimate
Polar surface area
140.3 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
112193-35-8
SMILES
O=C(O)CC[C@H](N=C(O)c1cncc(O)c1)C(=O)O
InChIKey
XFZGYOJFPGPYCS-QMMMGPOBSA-N
InChI
InChI=1S/C11H12N2O6/c14-7-3-6(4-12-5-7)10(17)13-8(11(18)19)1-2-9(15)16/h3-5,8,14H,1-2H2,(H,13,17)(H,15,16)(H,18,19)/t8-/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • L-Glutamic acid, N-[(5-hydroxy-3-pyridinyl)carbonyl]-
  • N-[(5-Hydroxy-3-pyridinyl)carbonyl]-L-glutamic acid
  • Nooglutil
  • ONK 10
  • (S)-2-(5-Hydroxynicotinamido)pentanedioic acid

Work with Nooglutyl

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Acetyl-L-glutamic acid1188-37-047 % similar N-Acetylglutamic acid5817-08-347 % similar N-(Benzyloxycarbonyl)-L-glutamic acid1155-62-046 % similar Glycyl-L-glutamic acid7412-78-445 % similar 5-Hydroxynicotinic acid27828-71-343 % similar Proglumide6620-60-642 % similar N-Benzoyl-L-histidine5354-94-941 % similar Benzoyl-L-phenylalanine2566-22-540 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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