chempirical

Glycyl-L-valine

C7H14N2O3CAS 1963-21-9174.20 g/mol

Open in Covalent MOL file
NHONH2OHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C7H14N2O3
Molar mass
174.20 g/mol
Exact mass
174.1004 Da
Melting point
242–243 °C (decomposes)
logP
0.01Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1963-21-9
SMILES
CC(C)[C@H](N=C(O)CN)C(=O)O
InChIKey
STKYPAFSDFAEPH-LURJTMIESA-N
InChI
InChI=1S/C7H14N2O3/c1-4(2)6(7(11)12)9-5(10)3-8/h4,6H,3,8H2,1-2H3,(H,9,10)(H,11,12)/t6-/m0/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • L-Valine, glycyl-
  • Valine, N-glycyl-, L-
  • L-Valine, N-glycyl-
  • Glycylvaline
  • N-Glycyl-L-valine
  • NSC 163327
  • NSC 83255
  • 48: PN: EP2161028 PAGE: 10 claimed protein
  • 43: PN: WO2014063098 TABLE: 5 claimed sequence
  • 158: PN: US20130123467 SEQID: 189 claimed protein
  • 19: PN: WO2014120891 PAGE: 141 claimed sequence
  • 4: PN: US20150203546 PAGE: 78 claimed sequence
  • (2S)-2-(2-Aminoacetamido)-3-methylbutanoic acid
  • (S)-2-(2-Aminoacetamido)-3-methylbutanoic acid

Work with Glycyl-L-valine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Gly-D-val10521-49-0Enantiomer Glycyl-DL-valine2325-17-9Stereo not defined

Similar compounds

Glycyl-DL-threonine27174-15-871 % similar Glycyl-threonine7093-70-171 % similar Glycyl-L-isoleucine19461-38-268 % similar N-(2-Chloroacetyl)-L-valine2279-16-566 % similar N-(2-Chloroacetyl)valine4090-17-966 % similar Glycyl-L-alanine3695-73-665 % similar N-Glycylalanine926-77-265 % similar Glycylleucine688-14-258 % similar

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

Same formula

Nε-Formyl-L-lysine1190-48-3 L-Theanine3081-61-6 1,1-Dimethylethyl N-(2-amino-2-oxoethyl)carbamate35150-09-5

Elsewhere

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