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1255099-08-1 | 3-Piperidinepropanoic acid, β-amino-1-[(1,1-dimethylethoxy)carbonyl]-, ethyl ester
CAS No: 1255099-08-1 Catalog No: AG000NRI MDL No:MFCD17926358
Product Description
Catalog Number:
AG000NRI
Chemical Name:
3-Piperidinepropanoic acid, β-amino-1-[(1,1-dimethylethoxy)carbonyl]-, ethyl ester
CAS Number:
1255099-08-1
Molecular Formula:
C15H28N2O4
Molecular Weight:
300.3938
MDL Number:
MFCD17926358
IUPAC Name:
tert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
InChI:
InChI=1S/C15H28N2O4/c1-5-20-13(18)9-12(16)11-7-6-8-17(10-11)14(19)21-15(2,3)4/h11-12H,5-10,16H2,1-4H3
InChI Key:
HHFNXIKOYAUDHU-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(C1CCCN(C1)C(=O)OC(C)(C)C)N
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.205g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.399g/mol
Monoisotopic Mass:
300.205g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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