Home Carbonyls 2-(2-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1,3-thiazol-4-yl)acetic acid

2-(2-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1,3-thiazol-4-yl)acetic acid

CAS No.:
1000991-57-0
Catalog Number:
AG01EJ7V
Molecular Formula:
C15H22N2O4S
Molecular Weight:
326.4112
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Product Description
Catalog Number:
AG01EJ7V
Chemical Name:
2-(2-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1,3-thiazol-4-yl)acetic acid
CAS Number:
1000991-57-0
Molecular Formula:
C15H22N2O4S
Molecular Weight:
326.4112
MDL Number:
MFCD11973534
IUPAC Name:
2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-4-yl]acetic acid
InChI:
InChI=1S/C15H22N2O4S/c1-15(2,3)21-14(20)17-6-4-10(5-7-17)13-16-11(9-22-13)8-12(18)19/h9-10H,4-8H2,1-3H3,(H,18,19)
InChI Key:
YCZNQXSVPPHJCS-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1scc(n1)CC(=O)O)OC(C)(C)C
Properties
Complexity:
416  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.13g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
326.411g/mol
Monoisotopic Mass:
326.13g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties