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Molecule
(Αs)-Α-Aminocyclopentaneacetic Acid
CAS: 2521-84-8 · C7H13NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2521-84-8
- Molecular Formula
- C7H13NO2
- Molecular Mass
- 143.19 g/mol
Identifiers
CAS Registry Number
2521-84-8
SMILES
N[C@H](C(=O)O)C1CCCC1
InChI Key
XBPKRVHTESHFAA-LURJTMIESA-N
InChI
InChI=1S/C7H13NO2/c8-6(7(9)10)5-3-1-2-4-5/h5-6H,1-4,8H2,(H,9,10)/t6-/m0/s1
Names and Synonyms
- (Αs)-Α-Aminocyclopentaneacetic Acid Common Name
- Cyclopentaneacetic acid, α-amino-, (αS)- Synonym
- Cyclopentaneacetic acid, α-amino-, L- Synonym
- Cyclopentaneacetic acid, α-amino-, (S)- Synonym
- (αS)-α-Aminocyclopentaneacetic acid Synonym
- L-Cyclopentylglycine Synonym
- (2S)-2-Amino-2-cyclopentylacetic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.19 g/mol | CAS Common Chemistry |
| 143.18599999999998 g/mol | RDKit | |
| 143.186 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-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XBPKRVHTESHFAA-LURJTMIESA-N | CAS Common Chemistry |
| Name | (αS)-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 |
| 63.32 Ų | RDKit | |
| LogP | 0.5884999999999994 | RDKit |
| 0.5885 | RDKit | |
| Molar Refractivity | 37.56920000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 143.094628656 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 143.19 g/mol. Edit any field — others recompute live.
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