(R)-1-Cbz-3-cyanopyrrolidine - CAS 329012-80-8

Catalog:	BB021478
Product Name:	(R)-1-Cbz-3-cyanopyrrolidine
CAS:	329012-80-8
Synonyms:	(3R)-3-cyano-1-pyrrolidinecarboxylic acid (phenylmethyl) ester; benzyl (3R)-3-cyanopyrrolidine-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	benzyl (3R)-3-cyanopyrrolidine-1-carboxylate
Description:	(R)-1-Cbz-3-cyanopyrrolidine (CAS# 329012-80-8) is a useful research chemical.
Molecular Weight:	230.26
Molecular Formula:	C13H14N2O2
Canonical SMILES:	C1CN(CC1C#N)C(=O)OCC2=CC=CC=C2
InChI:	InChI=1S/C13H14N2O2/c14-8-12-6-7-15(9-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2/t12-/m0/s1
InChI Key:	WNULFIVJZGZMEY-LBPRGKRZSA-N
Density:	1.2 g/cm³
LogP:	2.10658

Publication Number	Title	Priority Date
US-2004058894-A1	Selective S1P1/Edg1 receptor agonists	20020118
US-2005033055-A1	Edg receptor agonists	20020118
US-2005070506-A1	Selective s1p1/edg1 receptor agonists	20020118
US-7479504-B2	Edg receptor agonists	20020118
WO-03061567-A2	Selective s1p1/edg1 receptor agonists	20020118

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

Complexity:	315
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	230.105527694
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	230.105527694
Rotatable Bond Count:	3
Topological Polar Surface Area:	53.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5