[Synonyms]
dihydrodipicolinate
2,3-dihydrodipicolinate
2,3-di-H-dipicolinate
L-2,3-Dihydrodipicolinate
2,3-dihydrodipicolinic acid
CHEBI:48052
2,3-dihydropyridine-2,6-dicarboxylic acid
2,6-Pyridinedicarboxylic acid, 2,3-dihydro-
16052-12-3
[Structure]
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: 2,3-dihydropyridine-2,6-dicarboxylic acid
Canonical SMILES: C1C=CC(=NC1C(=O)O)C(=O)O
InChI: InChI=1/C7H7NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-2,5H,3H2,(H,9,10)(H,11,
12)/f/h9,11H
dihydrodipicolinate
2,3-dihydrodipicolinate
2,3-di-H-dipicolinate
L-2,3-Dihydrodipicolinate
2,3-dihydrodipicolinic acid
CHEBI:48052
2,3-dihydropyridine-2,6-dicarboxylic acid
2,6-Pyridinedicarboxylic acid, 2,3-dihydro-
16052-12-3
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 169.13478 [g/mol] |
| Molecular Formula | C7H7NO4 |
| XLogP | -0.8 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 169.037508 |
| MonoIsotopic Mass | 169.037508 |
| Topological Polar Surface Area | 87 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 279 |
| 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 |
[ Descriptors Computed from Structure]
IUPAC Name: 2,3-dihydropyridine-2,6-dicarboxylic acid
Canonical SMILES: C1C=CC(=NC1C(=O)O)C(=O)O
InChI: InChI=1/C7H7NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-2,5H,3H2,(H,9,10)(H,11,
12)/f/h9,11H
