Home Carboxys 2,5-Pyrrolidinedicarboxylic acid, 1-(phenylMethyl)-

2,5-Pyrrolidinedicarboxylic acid, 1-(phenylMethyl)-

CAS No.:
433933-93-8
Catalog Number:
AG00E4PL
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
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Product Description
Catalog Number:
AG00E4PL
Chemical Name:
2,5-Pyrrolidinedicarboxylic acid, 1-(phenylMethyl)-
CAS Number:
433933-93-8
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
MDL Number:
MFCD13874720
IUPAC Name:
1-benzylpyrrolidine-2,5-dicarboxylic acid
InChI:
InChI=1S/C13H15NO4/c15-12(16)10-6-7-11(13(17)18)14(10)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,16)(H,17,18)
InChI Key:
QREMUNONTQIPQO-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC(N1Cc1ccccc1)C(=O)O
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties