Back to Search
1-Tert-Butoxycarbonylaminocyclopentanecarboxylic Acid
CAS: 35264-09-6 | C11H19NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
35264-09-6
Molecular Formula:
C11H19NO4
Molecular Mass:
229.28 g/mol
Names and Synonyms:
1-Tert-Butoxycarbonylaminocyclopentanecarboxylic Acid
Cyclopentanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-
1-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclopentanecarboxylic acid
1-tert-Butoxycarbonylamino-1-cyclopentanecarboxylic acid
1-tert-Butoxycarbonylaminocyclopentanecarboxylic acid
N-Boc-1-aminocyclopentane-1-carboxylic acid
1-[(t-Butoxycarbonyl)amino]cyclopentanecarboxylic acid
1-(N-(tert-Butoxycarbonyl)amino)cyclopentanecarboxylic acid
1-((tert-Butoxycarbonyl)amino)cyclopentan-1-carboxylic acid
1-(Boc-amino)cyclopentanecarboxylic Acid
Identifiers:
SMILES:
CC(C)(C)OC(O)=NC1(C(=O)O)CCCC1
InChI:
InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-11(8(13)14)6-4-5-7-11/h4-7H2,1-3H3,(H,12,15)(H,13,14)
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 | 229.28 g/mol | CAS Common Chemistry |
| 229.27599999999993 g/mol | RDKit | |
| 229.131408088 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NC1(C(=O)O)CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-11(8(13)14)6-4-5-7-11/h4-7H2,1-3H3,(H,12,15)(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=YBZCSKVLXBOFSL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-tert-Butoxycarbonylaminocyclopentanecarboxylic acid | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 79.12 Ų | RDKit |
| LogP | 2.1129 | RDKit |
| Molar Refractivity | 59.73660000000003 | RDKit |
