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(Αr)-Α-Aminocyclopentaneacetic Acid
CAS: 2521-86-0 | C7H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2521-86-0
Molecular Formula:
C7H13NO2
Molecular Mass:
143.19 g/mol
Names and Synonyms:
(Αr)-Α-Aminocyclopentaneacetic Acid
Cyclopentaneacetic acid, α-amino-, (αR)-
Cyclopentaneacetic acid, α-amino-, D-
Cyclopentaneacetic acid, α-amino-, (R)-
(αR)-α-Aminocyclopentaneacetic acid
(R)-2-Amino-2-cyclopentylacetic acid
(2R)-2-Amino-2-cyclopentylacetic acid
(2R)-2-Azaniumyl-2-cyclopentylacetate
Identifiers:
SMILES:
N[C@@H](C(=O)O)C1CCCC1
InChI:
InChI=1S/C7H13NO2/c8-6(7(9)10)5-3-1-2-4-5/h5-6H,1-4,8H2,(H,9,10)/t6-/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 | 143.19 g/mol | CAS Common Chemistry |
| 143.18599999999998 g/mol | RDKit | |
| 143.094628656 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)C1CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H13NO2/c8-6(7(9)10)5-3-1-2-4-5/h5-6H,1-4,8H2,(H,9,10)/t6-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XBPKRVHTESHFAA-ZCFIWIBFSA-N | CAS Common Chemistry |
| Name | (αR)-α-Aminocyclopentaneacetic acid | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| LogP | 0.5884999999999994 | RDKit |
| Molar Refractivity | 37.56920000000001 | RDKit |
