Glycine, N-Formyl-, Ethyl Ester

CAS: 3154-51-6 | C5H9NO3

2D Structure

Loading 3D structure...

CAS Registry Number

3154-51-6

SMILES

CCOC(=O)CN=CO

InChI Key

GMBCCEOJUWMBPF-UHFFFAOYSA-N

InChI

InChI=1S/C5H9NO3/c1-2-9-5(8)3-6-4-7/h4H,2-3H2,1H3,(H,6,7)

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	131.13 g/mol	CAS Common Chemistry
	131.131 g/mol	RDKit
Canonical SMILES	O=CNCC(=O)OCC	CAS Common Chemistry
InChI	InChI=1S/C5H9NO3/c1-2-9-5(8)3-6-4-7/h4H,2-3H2,1H3,(H,6,7)	CAS Common Chemistry
InChI Key	InChIKey=GMBCCEOJUWMBPF-UHFFFAOYSA-N	CAS Common Chemistry
Name	Glycine, N-formyl-, ethyl ester	CAS Common Chemistry
Heavy Atom Count	9	RDKit
Hydrogen Bond Acceptors	3	RDKit
Hydrogen Bond Donors	1	RDKit
Rotatable Bonds	3	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	58.89 Å²	RDKit
LogP	0.1358000000000001	RDKit
	0.1358	RDKit
Molar Refractivity	32.62079999999999 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.6	RDKit
Exact Mass	131.058243148 g/mol	RDKit
Boiling Point	119-120 °C @ 1 Torr	CAS Common Chemistry

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Other compounds with formula C5H9NO3.