3,4,5,6-Tetrahydro-2-pyridinecarboxylic acid

AlkaPlorer ID: AK102262

Synonym: 1,4,5,6-Tetrahydro-2-pyridinecarboxylic acid, α,β-Dehydropipecolinic acid

IUPAC Name: 2,3,4,5-tetrahydropyridine-6-carboxylate

Structure

SMILES: O=C([O-])C1=NCCCC1

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InChI: InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H2,(H,8,9)/p-1

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InChIKey: GEJXSVNGWOSZPC-UHFFFAOYSA-M

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Reference

PubChem CID: 5460387

CAS: 2756-89-0

NPASS: NPC318006

COCONUT: CNP0002372

Properties Information

Molecule Weight: 126.135

TPSA: 52.49

MolLogP: -0.6388000000000003

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145) Dihydrodipicolinate synthase Inhibition 0.0 % 10.1016/0960-894X(94)85023-2

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT017905 NCCCCC(=O)C(=O)O>>O=C(O)C1=NCCCC1 RXN-8172
AKRT018051 NCCCC[C@@H](N)C(=O)O>>O=C(O)C1=NCCCC1 MNXR177097
AKRT018139 NCCCC[C@H](N)C(=O)O>>O=C(O)C1=NCCCC1 LYSINE-DEHYDROGENASE-RXN
AKRT022645 O=C(O)C1=CCCCN1>>O=C(O)C1=NCCCC1 RXN-21031
AKRT022652 O=C(O)C1=NCCCC1>>NCCCCC(=O)C(=O)O R04175
AKRT022653 O=C(O)C1=NCCCC1>>O=C(O)C1=CCCCN1 RXN-21031
AKRT022654 O=C(O)C1=NCCCC1>>O=C(O)[C@@H]1CCCCN1 RXN-8166
AKRT023011 O=C(O)[C@@H]1CCCCN1>>O=C(O)C1=NCCCC1 RXN-14210
AKRT023371 O=C(O)c1ccccn1>>O=C(O)C1=NCCCC1 MNXR132789