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[(Tert-Butoxycarbonyl)(Methyl)Amino]Acetic Acid
CAS: 13734-36-6 | C8H15NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13734-36-6
Molecular Formula:
C8H15NO4
Molecular Mass:
189.21 g/mol
Names and Synonyms:
[(Tert-Butoxycarbonyl)(Methyl)Amino]Acetic Acid
Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-
Sarcosine, N-carboxy-, N-tert-butyl ester
N-[(1,1-Dimethylethoxy)carbonyl]-N-methylglycine
N-(tert-Butoxycarbonyl)sarcosine
N-(tert-Butyloxycarbonyl)sarcosine
(tert-Butyloxycarbonyl)sarcosine
(tert-Butoxycarbonyl)sarcosine
(t-Butoxycarbonyl)sarcosine
[N-(tert-Butoxycarbonyl)-N-methylamino]acetic acid
2-[(tert-Butoxycarbonyl)(methyl)amino]acetic acid
[(tert-Butoxycarbonyl)(methyl)amino]acetic acid
N-(tert-Butoxycarbonyl)-N-methylglycine
Boc-sarcosine
2-((t-Butoxycarbonyl)(methyl)amino)acetic acid
N-Methyl-N-Boc-glycine
Boc-N-Me-Gly-OH
2-[Methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
Identifiers:
SMILES:
CN(CC(=O)O)C(=O)OC(C)(C)C
InChI:
InChI=1S/C8H15NO4/c1-8(2,3)13-7(12)9(4)5-6(10)11/h5H2,1-4H3,(H,10,11)
Spectral Data
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 189.21 g/mol | CAS Common Chemistry |
| 189.21099999999996 g/mol | RDKit | |
| 189.10010796 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)N(C)CC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C8H15NO4/c1-8(2,3)13-7(12)9(4)5-6(10)11/h5H2,1-4H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=YRXIMPFOTQVOHG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | [(tert-Butoxycarbonyl)(methyl)amino]acetic acid | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.84 Ų | RDKit |
| LogP | 0.9379 | RDKit |
| Molar Refractivity | 46.49980000000002 | RDKit |
