1-Aminopyrrolidin-2-one hydrochloride

Cat. No.: PI20386225

Product Details Other Identifiers Computed Properties

CAS	20386-22-5
Purity	95%
Molecular Formula	C4H9ClN2O
Linear Formula	CON2H2(CH2)3·HCl
Molecular Weight	136.58
Molar Refractivity	35.91

Pubchem ID	21992845
InChI Key	NYPFNJOTVWTWAF-UHFFFAOYSA-N
MDL Number	MFCD09258892

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	0
Topological Polar Surface Area	46.33 Å²
Heavy Atom Count	8
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.75
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	-0.16
Log Po/w (WLOGP)	-0.1
Log Po/w (MLOGP)	0.03
Log Po/w (SILICOS-IT)	-0.24
Consensus Log Po/w	-0.09
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.25 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	2.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	2.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.09

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