60252-41-7
Product Name:
(±)-Nipecotic acid
Formula:
C6H11NO2
Synonyms:
(±)-3-Piperidine carboxylic acid
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CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 0.4 [ug/mL] (The mean of the results at pH 7.4) |
|---|---|
| Collision Cross Section | 124.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
COMPUTED DESCRIPTORS
| Molecular Weight | 129.16 g/mol |
|---|---|
| XLogP3 | -2.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 129.078978594 g/mol |
| Monoisotopic Mass | 129.078978594 g/mol |
| Topological Polar Surface Area | 49.3 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 114 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Nipecotic acid is a piperidinemonocarboxylic acid that is piperidine in which one of the hydrogens at position 3 is substituted by a carboxylic acid group. It is a piperidinemonocarboxylic acid and a beta-amino acid.