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Molecule
(Αs)-Α-Aminocyclohexaneacetic Acid
CAS: 14328-51-9 · C8H15NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14328-51-9
- Molecular Formula
- C8H15NO2
- Molecular Mass
- 157.21 g/mol
Identifiers
CAS Registry Number
14328-51-9
SMILES
N[C@H](C(=O)O)C1CCCCC1
InChI Key
WAMWSIDTKSNDCU-ZETCQYMHSA-N
InChI
InChI=1S/C8H15NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1
Names and Synonyms
- (Αs)-Α-Aminocyclohexaneacetic Acid Common Name
- Cyclohexaneacetic acid, α-amino-, (αS)- Synonym
- Cyclohexaneacetic acid, α-amino-, L- Synonym
- Cyclohexaneacetic acid, α-amino-, (S)- Synonym
- (αS)-α-Aminocyclohexaneacetic acid Synonym
- L-α-Cyclohexylglycine Synonym
- (S)-2-Amino-2-cyclohexylacetic acid Synonym
- (2S)-2-Amino-2-cyclohexylethanoic acid Synonym
- L-Cyclohexylglycine Synonym
- (2S)-2-Amino-2-cyclohexylacetic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.21 g/mol | CAS Common Chemistry |
| 157.21299999999997 g/mol | RDKit | |
| 157.213 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)C1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H15NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WAMWSIDTKSNDCU-ZETCQYMHSA-N | CAS Common Chemistry |
| Melting Point | 255 °C (decomp) | CAS Common Chemistry |
| Name | (αS)-α-Aminocyclohexaneacetic acid | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | 0.9785999999999992 | RDKit |
| 0.9786 | RDKit | |
| Molar Refractivity | 42.18620000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 157.11027872 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 157.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H15NO2.
