Home Carboxys 2-oxo-6-(propan-2-yl)piperidine-3-carboxylic acid, Mixture of diastereomers

2-oxo-6-(propan-2-yl)piperidine-3-carboxylic acid, Mixture of diastereomers

CAS No.:
1516627-62-5
Catalog Number:
AG01DVHS
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
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Product Description
Catalog Number:
AG01DVHS
Chemical Name:
2-oxo-6-(propan-2-yl)piperidine-3-carboxylic acid, Mixture of diastereomers
CAS Number:
1516627-62-5
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
MDL Number:
MFCD27988670
IUPAC Name:
2-oxo-6-propan-2-ylpiperidine-3-carboxylic acid
InChI:
InChI=1S/C9H15NO3/c1-5(2)7-4-3-6(9(12)13)8(11)10-7/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChI Key:
QXFGYIHWNBEEGG-UHFFFAOYSA-N
SMILES:
CC(C1CCC(C(=O)N1)C(=O)O)C
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties