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885275-36-5 | 4-Pyridineacetic acid, a-[4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-piperidinyl]-
CAS No: 885275-36-5 Catalog No: AG0047KA MDL No:
Product Description
Catalog Number:
AG0047KA
Chemical Name:
4-Pyridineacetic acid, a-[4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-piperidinyl]-
CAS Number:
885275-36-5
Molecular Formula:
C17H25N3O4
Molecular Weight:
335.3981
IUPAC Name:
2-[2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-pyridin-4-ylacetic acid
InChI:
InChI=1S/C17H25N3O4/c1-17(2,3)24-16(23)12-6-9-20(13(18)10-12)14(15(21)22)11-4-7-19-8-5-11/h4-5,7-8,12-14H,6,9-10,18H2,1-3H3,(H,21,22)
InChI Key:
RZEWPVBZFAIIRQ-UHFFFAOYSA-N
SMILES:
NC1CC(CCN1C(c1ccncc1)C(=O)O)C(=O)OC(C)(C)C
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.185g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.404g/mol
Monoisotopic Mass:
335.185g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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