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Molecule
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
Identifiers
CAS Registry Number
35264-09-6
SMILES
CC(C)(C)OC(O)=NC1(C(=O)O)CCCC1
InChI Key
YBZCSKVLXBOFSL-UHFFFAOYSA-N
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)
Names and Synonyms
- 1-Tert-Butoxycarbonylaminocyclopentanecarboxylic Acid Synonym
- Cyclopentanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]- Synonym
- 1-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclopentanecarboxylic acid Synonym
- 1-tert-Butoxycarbonylamino-1-cyclopentanecarboxylic acid Synonym
- 1-tert-Butoxycarbonylaminocyclopentanecarboxylic acid Synonym
- N-Boc-1-aminocyclopentane-1-carboxylic acid Synonym
- 1-[(t-Butoxycarbonyl)amino]cyclopentanecarboxylic acid Synonym
- 1-(N-(tert-Butoxycarbonyl)amino)cyclopentanecarboxylic acid Synonym
- 1-((tert-Butoxycarbonyl)amino)cyclopentan-1-carboxylic acid Synonym
- 1-(Boc-amino)cyclopentanecarboxylic Acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 229.28 g/mol | CAS Common Chemistry |
| 229.27599999999993 g/mol | RDKit | |
| 229.276 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 |
| 2.17 | chempirical lib | |
| Molar Refractivity | 59.73660000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8182 | RDKit |
| 0.82 | chempirical lib | |
| Exact Mass | 229.131408088 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 229.28 g/mol. Edit any field — others recompute live.
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