(R)-3-N-Cbz-Aminopyrrolidine

Introduction

CAS No. :	879275-77-1	MDL No. :	MFCD04115316
Formula :	C12H16N2O2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	DSOICHFMGRBFCM-LLVKDONJSA-N
M.W :	220.27	Pubchem ID :	40425229
Synonyms :

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.42
Num. rotatable bonds :	5
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	64.52
TPSA :	50.36 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.78 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.06
Log Po/w (XLOGP3) :	1.21
Log Po/w (WLOGP) :	0.74
Log Po/w (MLOGP) :	1.14
Log Po/w (SILICOS-IT) :	1.4
Consensus Log Po/w :	1.31

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.92
Solubility :	2.68 mg/ml ; 0.0121 mol/l
Class :	Very soluble
Log S (Ali) :	-1.86
Solubility :	3.01 mg/ml ; 0.0137 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-3.48
Solubility :	0.0729 mg/ml ; 0.000331 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.62

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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