Home Carboxys rac-(3R,4R)-1-benzyl-4-cyclopropylpyrrolidine-3-carboxylic acid, trans

rac-(3R,4R)-1-benzyl-4-cyclopropylpyrrolidine-3-carboxylic acid, trans

CAS No.:
189506-90-9
Catalog Number:
AG01BV3Q
Molecular Formula:
C15H19NO2
Molecular Weight:
245.3169
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Product Description
Catalog Number:
AG01BV3Q
Chemical Name:
rac-(3R,4R)-1-benzyl-4-cyclopropylpyrrolidine-3-carboxylic acid, trans
CAS Number:
189506-90-9
Molecular Formula:
C15H19NO2
Molecular Weight:
245.3169
MDL Number:
MFCD30345432
IUPAC Name:
(3S,4S)-1-benzyl-4-cyclopropylpyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C15H19NO2/c17-15(18)14-10-16(9-13(14)12-6-7-12)8-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H,17,18)/t13-,14+/m0/s1
InChI Key:
JBLUXZWVKSRNJN-UONOGXRCSA-N
SMILES:
OC(=O)[C@@H]1CN(C[C@H]1C1CC1)Cc1ccccc1
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
245.142g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.322g/mol
Monoisotopic Mass:
245.142g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties