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117366-56-0 | 3-Pyrrolidinecarboxylic acid, 3-methyl-2-oxo-1-[(phenylamino)carbonyl]-
CAS No: 117366-56-0 Catalog No: AG000E6C MDL No:
Product Description
Catalog Number:
AG000E6C
Chemical Name:
3-Pyrrolidinecarboxylic acid, 3-methyl-2-oxo-1-[(phenylamino)carbonyl]-
CAS Number:
117366-56-0
Molecular Formula:
C13H14N2O4
Molecular Weight:
262.2613
IUPAC Name:
3-methyl-2-oxo-1-(phenylcarbamoyl)pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C13H14N2O4/c1-13(11(17)18)7-8-15(10(13)16)12(19)14-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,14,19)(H,17,18)
InChI Key:
MBJXALOHALHRRK-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1=O)(C)C(=O)O)Nc1ccccc1
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.265g/mol
Monoisotopic Mass:
262.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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