Home Carboxys 1-[(tert-butoxy)carbonyl]-5,5-dimethylpiperidine-2-carboxylic acid

1-[(tert-butoxy)carbonyl]-5,5-dimethylpiperidine-2-carboxylic acid

CAS No.:
676355-72-9
Catalog Number:
AG01EKNZ
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
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Product Description
Catalog Number:
AG01EKNZ
Chemical Name:
1-[(tert-butoxy)carbonyl]-5,5-dimethylpiperidine-2-carboxylic acid
CAS Number:
676355-72-9
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
MDL Number:
MFCD31616479
IUPAC Name:
5,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
InChI:
InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-8-13(4,5)7-6-9(14)10(15)16/h9H,6-8H2,1-5H3,(H,15,16)
InChI Key:
HKTJLSKZSPOCAE-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC(CN1C(=O)OC(C)(C)C)(C)C
Properties
Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.163g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.33g/mol
Monoisotopic Mass:
257.163g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties