Home Carboxys 1-ethyl-2-(3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

1-ethyl-2-(3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

CAS No.:
887361-19-5
Catalog Number:
AG00IFF0
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
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Product Description
Catalog Number:
AG00IFF0
Chemical Name:
1-ethyl-2-(3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CAS Number:
887361-19-5
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD07379635
IUPAC Name:
1-ethyl-2-(3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C14H17NO3/c1-3-15-12(16)8-11(14(17)18)13(15)10-6-4-5-9(2)7-10/h4-7,11,13H,3,8H2,1-2H3,(H,17,18)
InChI Key:
KUIOWASZZVAXFA-UHFFFAOYSA-N
SMILES:
CCN1C(=O)CC(C1c1cccc(c1)C)C(=O)O
Properties
Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties