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1217514-76-5 | 3-Piperidinepropanoic acid, α-amino-1-[(1,1-dimethylethoxy)carbonyl]-, (αS)-
CAS No: 1217514-76-5 Catalog No: AG0015SU MDL No:
Product Description
Catalog Number:
AG0015SU
Chemical Name:
3-Piperidinepropanoic acid, α-amino-1-[(1,1-dimethylethoxy)carbonyl]-, (αS)-
CAS Number:
1217514-76-5
Molecular Formula:
C13H24N2O4
Molecular Weight:
272.3407
IUPAC Name:
(2S)-2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
InChI:
InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-6-4-5-9(8-15)7-10(14)11(16)17/h9-10H,4-8,14H2,1-3H3,(H,16,17)/t9?,10-/m0/s1
InChI Key:
URRSXDJTLOGDMW-AXDSSHIGSA-N
SMILES:
OC(=O)[C@H](CC1CCCN(C1)C(=O)OC(C)(C)C)N
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
5
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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