Back to Search
N-[(1,1-Dimethylethoxy)Carbonyl]-2-Methylalanine
CAS: 30992-29-1 | C9H17NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
30992-29-1
Molecular Formula:
C9H17NO4
Molecular Mass:
203.24 g/mol
Names and Synonyms:
N-[(1,1-Dimethylethoxy)Carbonyl]-2-Methylalanine
Alanine, N-[(1,1-dimethylethoxy)carbonyl]-2-methyl-
Alanine, N-carboxy-2-methyl-, N-tert-butyl ester
N-[(1,1-Dimethylethoxy)carbonyl]-2-methylalanine
N-tert-Butoxycarbonyl-α-aminoisobutyric acid
2-(tert-Butoxycarbonylamino)isobutyric acid
2-(tert-Butoxycarboxylamino)-2-methylpropanoic acid
N-(tert-Butyloxycarbonyl)-2-aminoisobutyric acid
N-(tert-Butoxycarbonyl)-α-methylalanine
N-BOC-α-methylalanine
N-tert-Butoxycarbonyl-2-aminoisobutyric acid
N-tert-Butoxycarbonyl-2-methylalanine
N-(tert-Butoxycarbonyl)-2,2-dimethylglycine
N-BOC-2-aminoisobutyric acid
2-[(tert-Butoxycarbonyl)amino]-2-methylpropionic acid
N-Boc-2,2-dimethylglycine
2-(tert-Butyloxycarbonylamino)isobutanoic acid
α-(Bocamino)isobutyric acid
2-(((tert-Butoxy)carbonyl)amino)-2-methylpropanoic acid
N-Boc-2-methylalanine
2-(Boc-amino)isobutyric acid
N-Boc-α,α-dimethylglycine
Boc-2-methylalanine
2-(tert-Butoxycarbonylamino)isobutanoic acid
N-Boc-2-amino-2-methylpropanoic acid
2-Methyl-2-((t-butyloxycarbonyl)amino)propionic acid
Boc-α-methylalanine
Boc-aminoisobutyric acid
2-Methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Identifiers:
SMILES:
CC(C)(C)OC(O)=NC(C)(C)C(=O)O
InChI:
InChI=1S/C9H17NO4/c1-8(2,3)14-7(13)10-9(4,5)6(11)12/h1-5H3,(H,10,13)(H,11,12)
Key Properties
Melting Point
116-117 °C @ Solvent: Ethyl acetate, Ligroine
CAS Common Chemistry
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 | 203.24 g/mol | CAS Common Chemistry |
| 203.23799999999997 g/mol | RDKit | |
| 203.115758024 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NC(C(=O)O)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H17NO4/c1-8(2,3)14-7(13)10-9(4,5)6(11)12/h1-5H3,(H,10,13)(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=MFNXWZGIFWJHMI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 116-117 °C @ Solvent: Ethyl acetate, Ligroine | CAS Common Chemistry |
| Name | N-[(1,1-Dimethylethoxy)carbonyl]-2-methylalanine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 79.12 Ų | RDKit |
| LogP | 1.5787 | RDKit |
| Molar Refractivity | 52.61660000000003 | RDKit |
