N-[(1,1-Dimethylethoxy)Carbonyl]-O-Methyl-L-Threonine

CAS: 48068-25-3 | C10H19NO5

Loading 3D structure...

CAS Registry Number: 48068-25-3

Molecular Formula: C10H19NO5

Molecular Mass: 233.26 g/mol

N-[(1,1-Dimethylethoxy)Carbonyl]-O-Methyl-L-Threonine

L-Threonine, N-[(1,1-dimethylethoxy)carbonyl]-O-methyl-

N-[(1,1-Dimethylethoxy)carbonyl]-O-methyl-L-threonine

N-tert-Butyloxycarbonyl-O-methyl-L-threonine

(2S,3R)-2-(tert-Butoxycarbonylamino)-3-methoxybutanoic acid

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

InChI=1S/C10H19NO5/c1-6(15-5)7(8(12)13)11-9(14)16-10(2,3)4/h6-7H,1-5H3,(H,11,14)(H,12,13)/t6-,7+/m1/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	233.26 g/mol	CAS Common Chemistry
	233.26399999999998 g/mol	RDKit
	233.126322708 g/mol	RDKit
Canonical SMILES	O=C(OC(C)(C)C)NC(C(=O)O)C(OC)C	CAS Common Chemistry
InChI	InChI=1S/C10H19NO5/c1-6(15-5)7(8(12)13)11-9(14)16-10(2,3)4/h6-7H,1-5H3,(H,11,14)(H,12,13)/t6-,7+/m1/s1	CAS Common Chemistry
InChI Key	InChIKey=VWSUOKFUIPMDDX-RQJHMYQMSA-N	CAS Common Chemistry
Name	N-[(1,1-Dimethylethoxy)carbonyl]-O-methyl-L-threonine	CAS Common Chemistry
Heavy Atom Count	16	RDKit
Hydrogen Bond Acceptors	4	RDKit
Hydrogen Bond Donors	2	RDKit
Rotatable Bonds	4	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	88.35000000000001 Å²	RDKit
LogP	1.2036	RDKit
Molar Refractivity	58.79660000000003	RDKit