Home Carboxys (2S,4R)-4-(2-cyanobenzyl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-(2-cyanobenzyl)pyrrolidine-2-carboxylic acid

CAS No.:
1049981-76-1
Catalog Number:
AG0094XM
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0094XM
Chemical Name:
(2S,4R)-4-(2-cyanobenzyl)pyrrolidine-2-carboxylic acid
CAS Number:
1049981-76-1
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
MDL Number:
MFCD28968084
IUPAC Name:
(2S,4R)-4-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C13H14N2O2/c14-7-11-4-2-1-3-10(11)5-9-6-12(13(16)17)15-8-9/h1-4,9,12,15H,5-6,8H2,(H,16,17)/t9-,12+/m1/s1
InChI Key:
LMXYNNZXNRORJH-SKDRFNHKSA-N
SMILES:
N#Cc1ccccc1C[C@H]1CN[C@@H](C1)C(=O)O
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties