N2-[(1,1-Dimethylethoxy)Carbonyl]-N6-Formyl-L-Lysine

CAS: 2483-47-8 | C12H22N2O5

Loading 3D structure...

CAS Registry Number: 2483-47-8

Molecular Formula: C12H22N2O5

Molecular Mass: 274.32 g/mol

N2-[(1,1-Dimethylethoxy)Carbonyl]-N6-Formyl-L-Lysine

L-Lysine, N2-[(1,1-dimethylethoxy)carbonyl]-N6-formyl-

Lysine, N2-carboxy-N6-formyl-, N2-tert-butyl ester, L-

N2-[(1,1-Dimethylethoxy)carbonyl]-N6-formyl-L-lysine

NSC 334077

(S)-2-((tert-Butoxycarbonyl)amino)-6-formamidohexanoic acid

CC(C)(C)OC(O)=N[C@@H](CCCCN=CO)C(=O)O

InChI=1S/C12H22N2O5/c1-12(2,3)19-11(18)14-9(10(16)17)6-4-5-7-13-8-15/h8-9H,4-7H2,1-3H3,(H,13,15)(H,14,18)(H,16,17)/t9-/m0/s1

NMR, IR, and Mass spectral data

1H NMR

13C NMR

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.

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	274.32 g/mol	CAS Common Chemistry
	274.31699999999995 g/mol	RDKit
	274.15287180400003 g/mol	RDKit
Canonical SMILES	O=CNCCCCC(NC(=O)OC(C)(C)C)C(=O)O	CAS Common Chemistry
InChI	InChI=1S/C12H22N2O5/c1-12(2,3)19-11(18)14-9(10(16)17)6-4-5-7-13-8-15/h8-9H,4-7H2,1-3H3,(H,13,15)(H,14,18)(H,16,17)/t9-/m0/s1	CAS Common Chemistry
InChI Key	InChIKey=QYCPNUMTVZBTMM-VIFPVBQESA-N	CAS Common Chemistry
Name	N2-[(1,1-Dimethylethoxy)carbonyl]-N6-formyl-L-lysine	CAS Common Chemistry
Heavy Atom Count	19	RDKit
Hydrogen Bond Acceptors	4	RDKit
Hydrogen Bond Donors	3	RDKit
Rotatable Bonds	7	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	111.71 Å²	RDKit
LogP	1.9253000000000002	RDKit
Molar Refractivity	72.16440000000004	RDKit