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1365887-45-1 | 1,3-Piperidinedicarboxylic acid, 5-methyl-, 1-(1,1-dimethylethyl) ester
CAS No: 1365887-45-1 Catalog No: AG00123K MDL No:MFCD24532008
Product Description
Catalog Number:
AG00123K
Chemical Name:
1,3-Piperidinedicarboxylic acid, 5-methyl-, 1-(1,1-dimethylethyl) ester
CAS Number:
1365887-45-1
Molecular Formula:
C12H20NO4-
Molecular Weight:
242.2915
MDL Number:
MFCD24532008
IUPAC Name:
5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
InChI:
InChI=1S/C12H21NO4/c1-8-5-9(10(14)15)7-13(6-8)11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15)
InChI Key:
BPUPMHVBVYPFDZ-UHFFFAOYSA-N
SMILES:
CC1CC(CN(C1)C(=O)OC(C)(C)C)C(=O)[O-]
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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