Home Carboxys 5-oxo-3-(propan-2-yl)pyrrolidine-3-carboxylic acid

5-oxo-3-(propan-2-yl)pyrrolidine-3-carboxylic acid

CAS No.:
1513302-54-9
Catalog Number:
AG01BAWG
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
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Product Description
Catalog Number:
AG01BAWG
Chemical Name:
5-oxo-3-(propan-2-yl)pyrrolidine-3-carboxylic acid
CAS Number:
1513302-54-9
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
MDL Number:
MFCD26599462
IUPAC Name:
5-oxo-3-propan-2-ylpyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C8H13NO3/c1-5(2)8(7(11)12)3-6(10)9-4-8/h5H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChI Key:
WIFHVMCJQJLZNM-UHFFFAOYSA-N
SMILES:
O=C1NCC(C1)(C(C)C)C(=O)O
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties