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201809-22-5 | 1-Piperazinecarboxylic acid, 4-(5-carboxy-2-pyridinyl)-, 1-(1,1-dimethylethyl) ester
CAS No: 201809-22-5 Catalog No: AG0027V2 MDL No:MFCD06245543
Product Description
Catalog Number:
AG0027V2
Chemical Name:
1-Piperazinecarboxylic acid, 4-(5-carboxy-2-pyridinyl)-, 1-(1,1-dimethylethyl) ester
CAS Number:
201809-22-5
Molecular Formula:
C15H21N3O4
Molecular Weight:
307.3449
MDL Number:
MFCD06245543
IUPAC Name:
6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid
InChI:
InChI=1S/C15H21N3O4/c1-15(2,3)22-14(21)18-8-6-17(7-9-18)12-5-4-11(10-16-12)13(19)20/h4-5,10H,6-9H2,1-3H3,(H,19,20)
InChI Key:
PWYGTZUOLAGDNK-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ccc(cn1)C(=O)O)OC(C)(C)C
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.153g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.35g/mol
Monoisotopic Mass:
307.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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