chempirical

Leucylglycylglycine

C10H19N3O4CAS 4337-37-5245.28 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
Density
1.28 g/mL
Melting point
240 °C (decomposes)
logP
0.36Crippen estimate
Polar surface area
128.5 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
7

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
4337-37-5
SMILES
CC(C)CC(N)C(O)=NCC(O)=NCC(=O)O
InChIKey
VWHGTYCRDRBSFI-UHFFFAOYSA-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)

Weigh it out

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

Names and synonyms

7 names
  • Glycine, leucylglycyl-
  • Glycine, N-(N-DL-leucylglycyl)-
  • DL-Leucylglycylglycine
  • N-(N-DL-Leucylglycyl)glycine
  • NSC 89617
  • 2-[2-(2-Amino-4-methylpentanamido)acetamido]acetic acid
  • 2-[[2-[(2-Amino-4-methylpentanoyl)amino]acetyl]amino]acetic acid

Work with 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-gly1187-50-4Defined stereoisomer D-Leucylglycylglycine18625-22-4Defined stereoisomer

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