chempirical

D-Leucylglycylglycine

C10H19N3O4CAS 18625-22-4245.28 g/mol

Open in Covalent MOL file
NH2ONHONHOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C10H19N3O4
Molar mass
245.28 g/mol
Exact mass
245.1376 Da
Melting point
225 °C
logP
0.36Crippen estimate
Polar surface area
128.5 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
7
Stereocentres
Rin 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
18625-22-4
SMILES
CC(C)C[C@@H](N)C(O)=NCC(O)=NCC(=O)O
InChIKey
VWHGTYCRDRBSFI-SSDOTTSWSA-N
InChI
InChI=1S/C10H19N3O4/c1-6(2)3-7(11)10(17)13-4-8(14)12-5-9(15)16/h6-7H,3-5,11H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)/t7-/m1/s1

Weigh it out

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

Names and synonyms

4 names
  • Glycine, D-leucylglycyl-
  • Glycine, N-(N-D-leucylglycyl)-
  • NSC 523307
  • 2-[[2-[[(2R)-2-Amino-4-methylpentanoyl]amino]acetyl]amino]acetic acid

Work with D-Leucylglycylglycine

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.

Leu-gly-gly1187-50-4Enantiomer Leucylglycylglycine4337-37-5Stereo not defined

Similar compounds

Leucylglycine615-82-786 % similar L-Leucylglycine686-50-086 % similar Isovalerylglycine16284-60-955 % similar Glycylglycylglycine556-33-253 % similar L-Methionylglycine14486-03-452 % similar L-Leucyl-L-leucine3303-31-948 % similar L-Leucyl-L-alanine7298-84-248 % similar Glycylglycine556-50-348 % similar

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

Same formula

Glycylglycyl-L-leucine14857-82-0 Glycylglycyl-L-isoleucine69242-40-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook