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1159983-30-8 | 4-Piperidineacetic acid, 4-amino-1-[(1,1-dimethylethoxy)carbonyl]-
CAS No: 1159983-30-8 Catalog No: AG000HF3 MDL No:MFCD08460439
Product Description
Catalog Number:
AG000HF3
Chemical Name:
4-Piperidineacetic acid, 4-amino-1-[(1,1-dimethylethoxy)carbonyl]-
CAS Number:
1159983-30-8
Molecular Formula:
C12H22N2O4
Molecular Weight:
258.3141
MDL Number:
MFCD08460439
IUPAC Name:
2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
InChI:
InChI=1S/C12H22N2O4/c1-11(2,3)18-10(17)14-6-4-12(13,5-7-14)8-9(15)16/h4-8,13H2,1-3H3,(H,15,16)
InChI Key:
BGBMNGXKKOJOSX-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)(N)CC(=O)O)OC(C)(C)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.318g/mol
Monoisotopic Mass:
258.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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