L-Alanine Isopropyl Ester HCl

Cat. No.: PI62062651

Product Details Other Identifiers Computed Properties

CAS	62062-65-1
Synonyms	(S)-Isopropyl 2-aminopropanoate hydrochloride
Purity	97%
Molecular Formula	C6H14ClNO2
Molecular Weight	167.63
Molar Refractivity	41.91

Pubchem ID	13089459
InChI Key	YAQKNCSWDMGPOY-JEDNCBNOSA-N
MDL Number	MFCD08059709

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	3
Topological Polar Surface Area	52.32 Å²
Heavy Atom Count	10
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.83
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	1.21
Log Po/w (WLOGP)	1.09
Log Po/w (MLOGP)	0.75
Log Po/w (SILICOS-IT)	0.0
Consensus Log Po/w	0.61
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.46 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.68

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