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Cycloleucine
CAS: 52-52-8 | C6H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
52-52-8
Molecular Formula:
C6H11NO2
Molecular Weight:
129.159 g/mol
Names and Synonyms:
Cycloleucine
1-Azaniumylcyclopentane-1-carboxylate
NSC 112197
NSC 112195
NSC 112194
1-Amino-1-carboxycyclopentane
Cycloleucin
WR 14997
ACPC
Cycloleucine
1-Aminocyclopentane-1-carboxylic acid
NSC 1026
1-Aminocyclopentanecarboxylic acid
Cyclopentanecarboxylic acid, 1-amino-
Identifiers:
SMILES:
NC1(C(=O)O)CCCC1
InChI:
InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 129.16 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Cycloleucine None | Legacy Database |
| cas-canonical-smile | O=C(O)C1(N)CCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9) None | Legacy Database |
| cas-inchi-key | InChIKey=NILQLFBWTXNUOE-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 330 °C (decomp) None | Legacy Database |
| cas-name | 1-Aminocyclopentanecarboxylic acid None | Legacy Database |
| wikipedia-name | Cycloleucine None | Legacy Database |
| LogP | 0.34249999999999936 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 129.159 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 129.078978592 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 33.02219999999999 | RDKit |
