chempirical

L-Prolylglycine

C7H12N2O3CAS 2578-57-6172.18 g/mol

Open in Covalent MOL file
OHONHOHN
Carboxylic acidSecondary amine

Properties

Molecular formula
C7H12N2O3
Molar mass
172.18 g/mol
Exact mass
172.0848 Da
Melting point
236 °C
logP
-0.22Crippen estimate
Polar surface area
81.9 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3
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
2578-57-6
SMILES
O=C(O)CN=C(O)[C@@H]1CCCN1
InChIKey
RNKSNIBMTUYWSH-YFKPBYRVSA-N
InChI
InChI=1S/C7H12N2O3/c10-6(11)4-9-7(12)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,12)(H,10,11)/t5-/m0/s1

Weigh it out

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

Names and synonyms

16 names · show all
  • Glycine, L-prolyl-
  • Glycine, N-L-prolyl-
  • 45: PN: WO03052099 PAGE: 84 claimed protein
  • NSC 89175
  • 103: PN: EP2161028 PAGE: 10 claimed protein
  • 1: PN: KR20100018632 PAGE: 3 claimed protein
  • 2: PN: WO2010117786 PAGE: 166 claimed protein
  • 6: PN: WO2014063098 TABLE: 5 claimed protein
  • 42: PN: US20130123467 SEQID: 47 claimed protein
  • 19: PN: WO2015153838 PAGE: 89 claimed sequence
  • 84: PN: WO2017078631 PAGE: 50 claimed protein
  • 3: PN: US20180142240 PAGE: 82 claimed sequence
  • 2: PN: CN108148117 PAGE: 2 claimed sequence
  • 8: PN: JP2019112401 FIGURE: 2 claimed sequence
  • 2-[[(2S)-Pyrrolidin-1-ium-2-carbonyl]amino]acetate
  • 2-[(2S)-Pyrrolidin-2-ylformamido]acetic acid

Work with L-Prolylglycine

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

Proline147-85-349 % similar D-Proline344-25-249 % similar DL-Proline609-36-949 % similar Tiopronin1953-02-246 % similar (2R)-2-Pyrrolidinecarboxamide62937-45-544 % similar L-Prolinamide7531-52-444 % similar (+)-Pipecolic acid1723-00-843 % similar Pipecolic acid3105-95-143 % similar

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

Same formula

Glycyl-L-proline704-15-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook