Back to Search
Molecule
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 Mass
- 129.16 g/mol
Identifiers
CAS Registry Number
52-52-8
SMILES
NC1(C(=O)O)CCCC1
InChI Key
NILQLFBWTXNUOE-UHFFFAOYSA-N
InChI
InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)
Names and Synonyms
- Cycloleucine Common Name
- Cyclopentanecarboxylic acid, 1-amino- Synonym
- 1-Aminocyclopentanecarboxylic acid Synonym
- NSC 1026 Synonym
- 1-Aminocyclopentane-1-carboxylic acid Synonym
- Cycloleucine Synonym
- ACPC Synonym
- WR 14997 Synonym
- Cycloleucin Synonym
- 1-Amino-1-carboxycyclopentane Synonym
- NSC 112194 Synonym
- NSC 112195 Synonym
- NSC 112197 Synonym
- 1-Azaniumylcyclopentane-1-carboxylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 129.16 g/mol | CAS Common Chemistry |
| 129.159 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cycloleucine | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C1(N)CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=NILQLFBWTXNUOE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 330 °C (decomp) | CAS Common Chemistry |
| Name | 1-Aminocyclopentanecarboxylic acid | CAS Common Chemistry |
| Cycloleucine | CAS Common Chemistry | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| 63.32 Ų | RDKit | |
| LogP | 0.34249999999999936 | RDKit |
| 0.3425 | RDKit | |
| Molar Refractivity | 33.02219999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 129.078978592 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
Convert
Quick conversion
MW = 129.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H11NO2.
