Glycine, N-formyl-, ethyl ester

HCID 76615CAS 3154-51-6

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Basic information

Standard SMILES: CCOC(=O)CNC=O
InChIKey: GMBCCEOJUWMBPF-UHFFFAOYSA-N
Molecular formula: C5H9NO3
Average molar mass: 131.13 g/mol
Monoisotopic mass: 131.05824315

Names & identifiers

Preferred name: Glycine, N-formyl-, ethyl ester
IUPAC: ethyl 2-formamidoacetate
English name: N-FORMYLGLYCINE ETHYL ESTER
Molecular formula: C5H9NO3
Molecular weight: 131.13

Names & synonyms

3154-51-6Ethyl N-formylglycinateGlycine, N-formyl-, ethyl esterDTXSID50185437NSC-14440J56B7D9FXARefChem:1086053DTXCID60107928221-596-0N-Formylglycine ethyl esterethyl 2-formamidoacetateN-FORMYLGLYCINEETHYLESTER

Show more names

ethyl formylglycinateSKL349RMA-350NSC 14440N-For-GlyOEtDephenethylleccinine AETHYL FORMAMIDOACETATE

For-Gly-OEtEthylformylglycineMFCD00014125Formamidoacetic Acid Ethyl EsterSCHEMBL295774AKOS007930259AC-25035SY049965

Database identifiers

CAS: 3154-51-6
PubChem CID: 76615
DTXSID: DTXSID50185437
UNII: J56B7D9FXA
EC Number: 221-596-0
Nikkaji: J217.310G

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 9
Formal charge: 0
Complexity: 102

Physicochemical properties

Boiling point: 267 · 267-269 °C(lit.)
Density: 1.15 g/mL · 1.15 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.453(lit.)
Flash point: 106 · 106-107°C/0.5mm
storage temp.: 2 · Storage temp. 2-8°C
solubility: Soluble in common organic solvents.
pka: 14.62 · 14.62±0.23(Predicted)
form: clear liquid
color: Colorless to Light yellow
BRN: 1099378 · 1099378
Major Application: peptide synthesis
InChI: 1S/C5H9NO3/c1-2-9-5(8)3-6-4-7/h4H,2-3H2,1H3,(H,6,7)
InChIKey: GMBCCEOJUWMBPF-UHFFFAOYSA-N
SMILES: CCOC(=O)CNC=O
UNSPSC Code: 12352200 · 12352200
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
PPE: Eyeshields, Gloves
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HS Code: 29241990 · 29241990
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves
wgk: 3
hs_code: 29241990
Signal word: Warning
Symbol(GHS): GHS02
safety_code: 24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H226

Chemistry & industry

Applications

UsesN-Formylglycine ethyl ester is used in the preparation of aminomethylene compounds. Ethyl isocyanoacetate, sodium enolate was preparedm from ethyl N-formylglycinate.

UsesN-Formylglycine ethyl ester can be used in the preparation of pyridine derivatives as peptidomimetic inhibitors and antiviral agents.