N-tert-Butylcarbamoyl-tert-Leu-OH

Name: N-tert-Butylcarbamoyl-tert-Leu-OH
SKU: PI101968858
Rating: 5 (1 reviews)

Cat. No.: PI101968858

Product Details Other Identifiers Computed Properties

CAS	101968-85-8
Synonyms	(S)-2-(3-(tert-Butyl)ureido)-3,3-dimethylbutanoic acid
Purity	98%
Molecular Formula	C11H22N2O3
Molecular Weight	230.30
Molar Refractivity	62.73

Pubchem ID	23659740
InChI Key	RAAPXVRHYBAJQU-SSDOTTSWSA-N
MDL Number	MFCD12796012

Aromatic Heavy Atoms Number	0
BBB Permeant	No
Bioavailability Score	0.56
Brenk	0.0 alert
Consensus Log Po/w	1.43
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.82
Ghose	None
GI Absorption	High
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	3.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.49 cm/s
Log Po/w (iLOGP)	2.0
Log Po/w (MLOGP)	1.42
Log Po/w (SILICOS-IT)	0.43
Log Po/w (WLOGP)	1.58
Log Po/w (XLOGP3)	1.71
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	6
Synthetic Accessibility	2.52
Topological Polar Surface Area	78.43 Å²
Veber	0.0

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