Molecule

1-pyrroline-2-carboxylate

AlkaPlorer ID: AK102563

Synonym: 'delta(1)-pyrroline 2-carboxylate'

IUPAC Name: 3,4-dihydro-2H-pyrrole-5-carboxylate

SMILES: O=C([O-])C1=NCCC1

InChI: InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-3H2,(H,7,8)/p-1

InChIKey: RHTAIKJZSXNELN-UHFFFAOYSA-M

PubChem CID: 11966218

LOTUS: LTS0021214

NPASS: NPC320995

COCONUT: CNP0021263

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota

Molecule Weight: 112.108

TPSA？: 52.49

MolLogP？: -1.0289

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145)	Dihydrodipicolinate synthase	Inhibition	43.0	%	10.1016/0960-894X(94)85023-2
None	ADMET	pKa	1.8	None	10.1016/S0960-894X(00)80313-3
None	ADMET	pKa	6.2	None	10.1016/S0960-894X(00)80313-3

AKRT ID	Reaction	Reaction Link ID
AKRT017860	NCCCC(=O)C(=O)O>>O=C(O)C1=NCCC1	RXN-6861
AKRT022649	O=C(O)C1=NCCC1>>NCCCC(=O)C(=O)O	R03249
AKRT022650	O=C(O)C1=NCCC1>>O=C(O)[C@@H]1CCCN1	PYRROLINE-2-CARBOXYLATE-REDUCTASE-RXN
AKRT022651	O=C(O)C1=NCCC1>>O=C(O)[C@H]1CCCN1	RXN-11185
AKRT023026	O=C(O)[C@@H]1CCCN1>>O=C(O)C1=NCCC1	enzymemap_22831
AKRT023105	O=C(O)[C@H]1CCCN1>>O=C(O)C1=NCCC1	R02894
AKRT023115	O=C(O)[C@H]1NCC[C@@H]1O>>O=C(O)C1=NCCC1	TRANS-L-3-HYDROXYPROLINE-DEHYDRATASE-RXN
AKRT023118	O=C(O)[C@H]1NCC[C@H]1O>>O=C(O)C1=NCCC1	R11625