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1363166-24-8 | 1,3-Piperidinedicarboxylic acid, 3-(1-methylethyl)-, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS No: 1363166-24-8 Catalog No: AG0011MO MDL No:MFCD21641315
Product Description
Catalog Number:
AG0011MO
Chemical Name:
1,3-Piperidinedicarboxylic acid, 3-(1-methylethyl)-, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS Number:
1363166-24-8
Molecular Formula:
C16H29NO4
Molecular Weight:
299.4058
MDL Number:
MFCD21641315
IUPAC Name:
1-O-tert-butyl 3-O-ethyl 3-propan-2-ylpiperidine-1,3-dicarboxylate
InChI:
InChI=1S/C16H29NO4/c1-7-20-13(18)16(12(2)3)9-8-10-17(11-16)14(19)21-15(4,5)6/h12H,7-11H2,1-6H3
InChI Key:
KIZNSLKGLUNCCP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCCN(C1)C(=O)OC(C)(C)C)C(C)C
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.21g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.411g/mol
Monoisotopic Mass:
299.21g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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