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1823506-74-6 | 3-Piperidinepropanoic acid, β-amino-1-[(1,1-dimethylethoxy)carbonyl]-, methyl ester
CAS No: 1823506-74-6 Catalog No: AG0023OF MDL No:
Product Description
Catalog Number:
AG0023OF
Chemical Name:
3-Piperidinepropanoic acid, β-amino-1-[(1,1-dimethylethoxy)carbonyl]-, methyl ester
CAS Number:
1823506-74-6
Molecular Formula:
C14H26N2O4
Molecular Weight:
286.3672
IUPAC Name:
tert-butyl 3-(1-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate
InChI:
InChI=1S/C14H26N2O4/c1-14(2,3)20-13(18)16-7-5-6-10(9-16)11(15)8-12(17)19-4/h10-11H,5-9,15H2,1-4H3
InChI Key:
IWRUBJIHFBNLPN-UHFFFAOYSA-N
SMILES:
COC(=O)CC(C1CCCN(C1)C(=O)OC(C)(C)C)N
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.189g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.372g/mol
Monoisotopic Mass:
286.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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