Back to Search
Methyl (Αr)-Α-Amino-4-Hydroxybenzeneacetate
CAS: 37763-23-8 | C9H11NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
37763-23-8
Molecular Formula:
C9H11NO3
Molecular Mass:
181.19 g/mol
Names and Synonyms:
Methyl (Αr)-Α-Amino-4-Hydroxybenzeneacetate
Benzeneacetic acid, α-amino-4-hydroxy-, methyl ester, (αR)-
Benzeneacetic acid, α-amino-4-hydroxy-, methyl ester, (R)-
Methyl (αR)-α-amino-4-hydroxybenzeneacetate
Methyl D-(-)-α-amino-α-(4-hydroxyphenyl)acetate
D-(4-Hydroxyphenyl)glycine methyl ester
(R)-Methyl (4-hydroxyphenyl)glycinate
D-p-Hydroxyphenylglycine methyl ester
Methyl (R)-2-amino-2-(4-hydroxyphenyl)acetate
(R)-Methyl 2-amino-2-(4-hydroxyphenyl)acetate
Identifiers:
SMILES:
COC(=O)[C@H](N)c1ccc(O)cc1
InChI:
InChI=1S/C9H11NO3/c1-13-9(12)8(10)6-2-4-7(11)5-3-6/h2-5,8,11H,10H2,1H3/t8-/m1/s1
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 | 181.19 g/mol | CAS Common Chemistry |
| 181.191 g/mol | RDKit | |
| 181.073893212 g/mol | RDKit | |
| Canonical SMILES | O=C(OC)C(N)C1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO3/c1-13-9(12)8(10)6-2-4-7(11)5-3-6/h2-5,8,11H,10H2,1H3/t8-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SZBDOFWNZVHVGR-MRVPVSSYSA-N | CAS Common Chemistry |
| Name | Methyl (αR)-α-amino-4-hydroxybenzeneacetate | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 72.55 Ų | RDKit |
| LogP | 0.565 | RDKit |
| Molar Refractivity | 47.05120000000002 | RDKit |
