chempirical

Glycylphenylalanine

C11H14N2O3CAS 3321-03-7222.24 g/mol

Open in Covalent MOL file
NH2ONHOHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C11H14N2O3
Molar mass
222.24 g/mol
Exact mass
222.1004 Da
Melting point
267 °C
logP
0.60Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
5
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
3321-03-7
SMILES
NCC(O)=N[C@@H](Cc1ccccc1)C(=O)O
InChIKey
JBCLFWXMTIKCCB-VIFPVBQESA-N
InChI
InChI=1S/C11H14N2O3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1

Weigh it out

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

Names and synonyms

13 names · show all
  • L-Phenylalanine, glycyl-
  • Alanine, N-glycyl-3-phenyl-, L-
  • L-Phenylalanine, N-glycyl-
  • Glycyl-L-phenylalanine
  • N-Glycyl-L-phenylalanine
  • N-Glycylphenylalanine
  • NSC 88881
  • 85: PN: EP2161028 PAGE: 10 claimed protein
  • 7: PN: WO2014063098 TABLE: 5 claimed protein
  • 43: PN: US20130123467 SEQID: 48 claimed protein
  • (2S)-2-(2-Aminoacetamido)-3-phenylpropanoic acid
  • (2S)-2-[(2-Azaniumylacetyl)amino]-3-phenylpropanoate
  • (S)-2-(2-Aminoacetamido)-3-phenylpropanoicacid

Work with Glycylphenylalanine

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.

Glycylphenylalanine721-66-4Stereo not defined

Similar compounds

Glycyl-L-tyrosine658-79-779 % similar N-(Chloroacetyl)-3-phenyl-DL-alanine7765-11-973 % similar Benzoyl-L-phenylalanine2566-22-567 % similar L-Phenylalanyl-L-phenylalanine2577-40-467 % similar N-Benzoyl-DL-phenylalanine2901-76-067 % similar Alanylphenylalanine1999-45-764 % similar L-Alanyl-L-phenylalanine3061-90-364 % similar (-)-N-Acetylphenylalanine10172-89-163 % similar

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

Same formula

1,1-Dimethylethyl N-(4-formyl-3-pyridinyl)carbamate116026-95-0 N-Acetyl-L-tyrosinamide1948-71-6 tert-Butyl (5-formylpyridin-2-yl)carbamate199296-40-7

Elsewhere

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