Molecule

ethyl (2S)-5-oxopyrrolidine-2-carboxylate

AlkaPlorer ID: AK075155

Synonym: None

IUPAC Name: ethyl (2S)-5-oxopyrrolidine-2-carboxylate

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

InChI: InChI=1S/C7H11NO3/c1-2-11-7(10)5-3-4-6(9)8-5/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1

InChIKey: QYJOOVQLTTVTJY-YFKPBYRVSA-N

PubChem CID: 2724446

CAS: 7149-65-7

LOTUS: LTS0238238

SuperNatural Ⅲ: SN0318507-02

NPASS: NPC229804

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Morus alba	Morus	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Panax notoginseng	Panax	Araliaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 157.169

TPSA？: 58.89

MolLogP？: 0.6683999999999999

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Macrophage colony stimulating factor receptor	IC50	26.0	nM	10.1021/acs.jmedchem.7b00873
Homo sapiens	Macrophage colony stimulating factor receptor	IC50	33.0	nM	10.1021/acs.jmedchem.7b00873
Homo sapiens	Macrophage colony stimulating factor receptor	IC50	38.0	nM	10.1021/acs.jmedchem.7b00873
Homo sapiens	Macrophage colony stimulating factor receptor	IC50	40.0	nM	10.1021/acs.jmedchem.7b00873
Homo sapiens	Macrophage colony stimulating factor receptor	IC50	88.0	nM	10.1021/acs.jmedchem.7b00873
Homo sapiens	Macrophage colony stimulating factor receptor	IC50	93.0	nM	10.1021/acs.jmedchem.7b00873
Homo sapiens	Osteoclast	IC50	15.0	nM	10.1021/acs.jmedchem.7b00873
Mus musculus	NFS-60	TGI	80.0	%	10.1021/acs.jmedchem.7b00873
Phytophthora infestans	Phytophthora infestans	EC50	15.25	ug.mL-1	10.1016/j.bmc.2018.07.041
Phytophthora infestans	Phytophthora infestans	Inhibition	95.81	%	10.1016/j.bmc.2018.07.041

AKRT ID	Reaction	Reaction Link ID
AKRT009724	CCOC(=O)[C@@H]1CCC(=O)N1>>CCO	enzymemap_68245
AKRT009725	CCOC(=O)[C@@H]1CCC(=O)N1>>O=C1CC[C@@H](C(=O)O)N1	enzymemap_68245