Home Carbonyls 2-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-2-hydroxyacetic acid

2-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-2-hydroxyacetic acid

CAS No.:
1783989-87-6
Catalog Number:
AG01EKKY
Molecular Formula:
C12H21NO5
Molecular Weight:
259.2988
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Product Description
Catalog Number:
AG01EKKY
Chemical Name:
2-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-2-hydroxyacetic acid
CAS Number:
1783989-87-6
Molecular Formula:
C12H21NO5
Molecular Weight:
259.2988
MDL Number:
MFCD28631822
IUPAC Name:
2-hydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
InChI:
InChI=1S/C12H21NO5/c1-12(2,3)18-11(17)13-6-4-8(5-7-13)9(14)10(15)16/h8-9,14H,4-7H2,1-3H3,(H,15,16)
InChI Key:
CAYADTXGFWDRCU-UHFFFAOYSA-N
SMILES:
OC(C(=O)O)C1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.142g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
259.302g/mol
Monoisotopic Mass:
259.142g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties