Ethyl glycylglycinate

HCID 124706CAS 627-74-7

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Basic information

Standard SMILES: CCOC(=O)CNC(=O)CN
InChIKey: LFAVEINQLWIXRA-UHFFFAOYSA-N
Molecular formula: C6H12N2O3
Average molar mass: 160.17 g/mol
Monoisotopic mass: 160.08479225

Names & identifiers

Preferred name: Ethyl glycylglycinate
IUPAC: ethyl 2-[(2-aminoacetyl)amino]acetate
English name: Glycylglycine ethyl ester hydrochloride
Molecular formula: C6H12N2O3
Molecular weight: 160.17

Names & synonyms

ethyl glycylglycinateGlycine, N-glycyl-, ethyl esterGlycylglycine ethyl esterDTXSID00211770RefChem:344848DTXCID30134261LFAVEINQLWIXRA-UHFFFAOYSA-N627-74-7ethyl 2-(2-aminoacetamido)acetateethyl 2-[(2-aminoacetyl)amino]acetateH-Gly-Gly-OEtEthyl N-glycylglycine

Show more names

H-GLY-GLY-OET HCLAcifluorfen Impurity 4Roxadustat Impurity 76glycylglycineethylesterHClGLY-GLY ETHYL ESTER HYDROCHLORIDE

glycine, glycyl-, ethyl esterEthyl [(aminoacetyl)amino]acetateGly-Gly-OEtDiglycine ethyl esterNH2-Gly-Gly-OEtglycylglycine ethylester2ET9Y9EPB3SCHEMBL2198462

Database identifiers

CAS: 627-74-7
PubChem CID: 124706
DTXSID: DTXSID00211770
UNII: 2ET9Y9EPB3
Nikkaji: J95.478K

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 81.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 11
Formal charge: 0
Complexity: 147

Physicochemical properties

Melting point: 88 · 88-89 °C
Boiling point: 305 · 305.0±22.0 °C(Predicted)
Density: 1.138 · 1.138±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
pka: 13.51 · 13.51±0.46(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
WGK Germany: 3 · 3