(S)-1-Cbz-3-pyrrolidinecarbonitrile - CAS 193693-69-5

Catalog:	BB015010
Product Name:	(S)-1-Cbz-3-pyrrolidinecarbonitrile
CAS:	193693-69-5
Synonyms:	(3S)-3-cyano-1-pyrrolidinecarboxylic acid (phenylmethyl) ester; benzyl (3S)-3-cyanopyrrolidine-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	benzyl (3S)-3-cyanopyrrolidine-1-carboxylate
Description:	(S)-1-Cbz-3-pyrrolidinecarbonitrile (CAS# 193693-69-5) is a useful research chemical compound.
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-/m1/s1
InChI Key:	WNULFIVJZGZMEY-GFCCVEGCSA-N
Density:	1.2 g/cm³
LogP:	2.10658

Publication Number	Title	Priority Date
EP-2590978-B1	Carbapenem antibacterials with gram-negative activity	20100618
US-2013172313-A1	Carbapenem Antibacterials with Gram-Negative Activity	20100618
US-2015306071-A1	Carbapenem Antibacterials with Gram-Negative Activity	20100618
US-9149461-B2	Carbapenem antibacterials with gram-negative activity	20100618
WO-2011160020-A2	Carbapenem antibacterials with gram-negative activity	20100618

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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