N-Acetyl-L-glutamine

C₇H₁₂N₂O₄CAS 35305-74-9188.18 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₇H₁₂N₂O₄
Molar mass: 188.18 g/mol
Exact mass: 188.0797 Da
logP: -0.32Crippen estimate
Polar surface area: 113.0 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

35305-74-9

SMILES

CC(O)=NC(=O)CC[C@H](N)C(=O)O

InChIKey

SGKPDOQKJBOJTE-YFKPBYRVSA-N

InChI

InChI=1S/C7H12N2O4/c1-4(10)9-6(11)3-2-5(8)7(12)13/h5H,2-3,8H2,1H3,(H,12,13)(H,9,10,11)/t5-/m0/s1

Weigh it out

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

Names and synonyms

4 names

L-Glutamine, N-acetyl-
Acetylglutamine
(S)-5-Acetamido-2-amino-5-oxopentanoic acid
(2S)-2-Amino-5-acetamido-5-oxopentanoic acid

Work with N-Acetyl-L-glutamine

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

Acetyllysine692-04-656 % similar Poly(L-glutamic acid)25513-46-651 % similar Glutamic acid56-86-051 % similar Glutamic acid617-65-251 % similar L-Theanine3081-61-650 % similar 5-Methyl hydrogen L-glutamate1499-55-449 % similar Glutamine56-85-949 % similar Glutamine585-21-749 % similar

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

Same formula

Aceglutamide2490-97-3 Dmdm hydantoin6440-58-0

Elsewhere

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