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1010814-94-4 | 3-PIPERIDINEACETIC ACID, 1-[(1,1-DIMETHYLETHOXY)CARBONYL]-4-OXO-, 1,1-DIMETHYLETHYL ESTER
CAS No: 1010814-94-4 Catalog No: AG0003P6 MDL No:MFCD11111810
Product Description
Catalog Number:
AG0003P6
Chemical Name:
3-PIPERIDINEACETIC ACID, 1-[(1,1-DIMETHYLETHOXY)CARBONYL]-4-OXO-, 1,1-DIMETHYLETHYL ESTER
CAS Number:
1010814-94-4
Molecular Formula:
C16H27NO5
Molecular Weight:
313.3893
MDL Number:
MFCD11111810
IUPAC Name:
tert-butyl 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-1-carboxylate
InChI:
InChI=1S/C16H27NO5/c1-15(2,3)21-13(19)9-11-10-17(8-7-12(11)18)14(20)22-16(4,5)6/h11H,7-10H2,1-6H3
InChI Key:
ALIVCUSTZCGWKQ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)CC1CN(CCC1=O)C(=O)OC(C)(C)C
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.189g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.394g/mol
Monoisotopic Mass:
313.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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