Aceglutamide

C7H12N2O4CAS 2490-97-3188.18 g/mol

Open in Covalent MOL file
ONHNH2OOHO
Carboxylic acid

Properties

Molecular formula
C7H12N2O4
Molar mass
188.18 g/mol
Exact mass
188.0797 Da
Density
1.38 g/mL
Melting point
197 °C
logP
0.73Crippen estimate
Polar surface area
114.0 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2490-97-3
SMILES
CC(O)=N[C@@H](CCC(=N)O)C(=O)O
InChIKey
KSMRODHGGIIXDV-YFKPBYRVSA-N
InChI
InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)/t5-/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • L-Glutamine, N2-acetyl-
  • Glutamine, N2-acetyl-, L-
  • N2-Acetyl-L-glutamine
  • Acetylglutamine
  • α-N-Acetyl-L-glutamine
  • Aceglutamid
  • N2-Acetylglutamine
  • Acutil S
  • NSC 186896
  • (2S)-2-Acetamido-5-amino-5-oxopentanoic acid
  • (2S)-4-Carbamoyl-2-acetamidobutanoic acid

Work with Aceglutamide

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

N2-Acetyl-D-asparagine26117-27-172 % similar N-Acetylasparagine4033-40-372 % similar N-Acetyl-L-glutamic acid1188-37-068 % similar N-Acetylglutamic acid5817-08-368 % similar Glycyl-L-glutamine13115-71-461 % similar Alanyl-glutamine39537-23-060 % similar Boc-L-glutamine13726-85-759 % similar 2-(Acetylamino)butanoic acid7211-57-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Glycyl-4-hydroxyproline24587-32-4 N-Acetyl-L-glutamine35305-74-9 DMDM Hydantoin6440-58-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook