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1219331-78-8 | 3-Piperidineacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS No: 1219331-78-8 Catalog No: AG0016ET MDL No:MFCD04115494
Product Description
Catalog Number:
AG0016ET
Chemical Name:
3-Piperidineacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS Number:
1219331-78-8
Molecular Formula:
C13H24N2O4
Molecular Weight:
272.3407
MDL Number:
MFCD04115494
IUPAC Name:
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate
InChI:
InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-10(11(16)18-4)9-6-5-7-14-8-9/h9-10,14H,5-8H2,1-4H3,(H,15,17)
InChI Key:
HKYHGXQKYQHGFW-UHFFFAOYSA-N
SMILES:
COC(=O)C(C1CCCNC1)NC(=O)OC(C)(C)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.174g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.345g/mol
Monoisotopic Mass:
272.174g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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