2-Methoxypyrrolidine-1-carboxamide

Details

• Internal ID: c03ade36-26aa-4d78-8d0f-3b7079ee3464
• Taxonomy: Organoheterocyclic compounds > Pyrrolidines > Pyrrolidine carboxylic acids and derivatives > Pyrrolidinecarboxamides
• IUPAC Name: 2-methoxypyrrolidine-1-carboxamide
• SMILES (Canonical): COC1CCCN1C(=O)N
• SMILES (Isomeric): COC1CCCN1C(=O)N
• InChI: InChI=1S/C6H12N2O2/c1-10-5-3-2-4-8(5)6(7)9/h5H,2-4H2,1H3,(H2,7,9)
• InChI Key: NAIMNAZWFGBUDM-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₁₂N₂O₂
• Molecular Weight: 144.17 g/mol
• Exact Mass: 144.089877630 g/mol
• Topological Polar Surface Area (TPSA): 55.60 Ų
• XlogP: -0.30

Synonyms

• 103772-04-9
• 1-Pyrrolidinecarboxamide,2-methoxy-(9CI)
• AKOS006340792

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.71%	96.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	92.46%	92.94%
CHEMBL5203	P33316	dUTP pyrophosphatase	90.20%	99.18%
CHEMBL340	P08684	Cytochrome P450 3A4	88.60%	91.19%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.29%	97.09%
CHEMBL3474	P14555	Phospholipase A2 group IIA	88.18%	94.05%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.64%	95.89%
CHEMBL4394	Q9NYA1	Sphingosine kinase 1	83.20%	96.03%
CHEMBL253	P34972	Cannabinoid CB2 receptor	82.85%	97.25%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	82.55%	94.33%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	81.44%	100.00%
CHEMBL4005	P42336	PI3-kinase p110-alpha subunit	80.88%	97.47%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.35%	94.45%
CHEMBL2581	P07339	Cathepsin D	80.23%	98.95%

Plants that contains it

• Hexalobus crispiflorus
• Piptostigma fugax

Cross-Links

• PubChem: 14825799
• LOTUS: LTS0216522
• wikiData: Q105176262