Molecule

1-piperideine-6-carboxylate

AlkaPlorer ID: AK001546

Synonym: '', 'Delta1-piperideine-6-carboxylate', 'delta-1-Piperideine-6-carboxylate'

IUPAC Name: (2S)-2,3,4,5-tetrahydropyridine-2-carboxylic acid

SMILES: O=C(O)[C@@H]1CCCC=N1

InChI: InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h4-5H,1-3H2,(H,8,9)/t5-/m0/s1

InChIKey: CSDPVAKVEWETFG-YFKPBYRVSA-N

PubChem CID: 24771808

LOTUS: LTS0225850

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces clavuligerus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Molecule Weight: 127.143

TPSA？: 49.66

MolLogP？: 0.6942999999999999

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT011264	CO[C@@H]1[C@@H](COP(C)(=O)O)O[C@@H](n2cc(C(=N)NCCCC[C@H](N)C(=O)O)c3c(=O)[nH]c(N)nc32)[C@@H]1O>>O=C(O)[C@@H]1CCCC=N1	63220
AKRT018140	NCCCC[C@H](N)C(=O)O>>O=C(O)[C@@H]1CCCC=N1	RXN-16669
AKRT019282	N[C@@H](CCCC=O)C(=O)O>>O=C(O)[C@@H]1CCCC=N1	RXN-8173
AKRT023007	O=C(O)[C@@H]1CCCC=N1>>NCCCC[C@H](N)C(=O)O	LYSINE-6-DEHYDROGENASE-RXN
AKRT023008	O=C(O)[C@@H]1CCCC=N1>>N[C@@H](CCCC(=O)O)C(=O)O	RXN-8162
AKRT023009	O=C(O)[C@@H]1CCCC=N1>>O=C(O)[C@@H]1CCCCN1	RXN-16267
AKRT023013	O=C(O)[C@@H]1CCCCN1>>O=C(O)[C@@H]1CCCC=N1	L-PIPECOLATE-OXIDASE-RXN