Home Carbonyls N-(Pyridine-4-carbonyl)-L-proline

N-(Pyridine-4-carbonyl)-L-proline

CAS No.:
59834-40-1
Catalog Number:
AG00F2F9
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
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Product Description
Catalog Number:
AG00F2F9
Chemical Name:
N-(Pyridine-4-carbonyl)-L-proline
CAS Number:
59834-40-1
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD09757455
IUPAC Name:
(2S)-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H12N2O3/c14-10(8-3-5-12-6-4-8)13-7-1-2-9(13)11(15)16/h3-6,9H,1-2,7H2,(H,15,16)/t9-/m0/s1
InChI Key:
HWSJOJYQNWMORF-VIFPVBQESA-N
SMILES:
OC(=O)C1CCCN1C(=O)c1ccncc1
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties