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Molecule
(+)-Pipecolic Acid
CAS: 1723-00-8 · C6H11NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1723-00-8
- Molecular Formula
- C6H11NO2
- Molecular Mass
- 129.16 g/mol
Identifiers
CAS Registry Number
1723-00-8
SMILES
O=C(O)[C@H]1CCCCN1
InChI Key
HXEACLLIILLPRG-RXMQYKEDSA-N
InChI
InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1
Names and Synonyms
- (+)-Pipecolic Acid Synonym
- 2-Piperidinecarboxylic acid, (2R)- Synonym
- 2-Piperidinecarboxylic acid, (R)- Synonym
- Pipecolic acid, D-(+)- Synonym
- (2R)-2-Piperidinecarboxylic acid Synonym
- (R)-Pipecolic acid Synonym
- (+)-Pipecolic acid Synonym
- D-Pipecolic acid Synonym
- D-(+)-Pipecolic acid Synonym
- D-Pipecolinic acid Synonym
- D-Homoproline Synonym
- (R)-Pipecolinic acid Synonym
- (R)-2-Piperidinecarboxylic acid Synonym
- (R)-(+)-Pipecolic acid Synonym
- D-Piperidine-2-carboxylic acid Synonym
- (+)-Pipecolinic acid Synonym
- (R)-2-Carboxypiperidine Synonym
- (2R)-Piperidine-2-carboxylic acid Synonym
- (R)-(+)-2-Piperidinecarboxylic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 129.16 g/mol | CAS Common Chemistry |
| 129.15900000000002 g/mol | RDKit | |
| 129.159 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1NCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=HXEACLLIILLPRG-RXMQYKEDSA-N | CAS Common Chemistry |
| Melting Point | 266-268 °C (decomp) | CAS Common Chemistry |
| Name | (+)-Pipecolic acid | 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 | 49.33 Ų | RDKit |
| LogP | 0.21310000000000012 | RDKit |
| 0.2131 | RDKit | |
| Molar Refractivity | 33.27749999999999 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
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8
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
100
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20
0 ppm
| 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 = 129.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H11NO2.
