Home Carboxys (3aR,7aR)-5-(tert-butoxycarbonyl)octahydrofuro[3,2-c]pyridine-3a-carboxylic acid

(3aR,7aR)-5-(tert-butoxycarbonyl)octahydrofuro[3,2-c]pyridine-3a-carboxylic acid

CAS No.:
1314391-33-7
Catalog Number:
AG01DIFJ
Molecular Formula:
C13H21NO5
Molecular Weight:
271.3095
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Product Description
Catalog Number:
AG01DIFJ
Chemical Name:
(3aR,7aR)-5-(tert-butoxycarbonyl)octahydrofuro[3,2-c]pyridine-3a-carboxylic acid
CAS Number:
1314391-33-7
Molecular Formula:
C13H21NO5
Molecular Weight:
271.3095
MDL Number:
MFCD20230747
IUPAC Name:
(3aR,7aR)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxylic acid
InChI:
InChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-6-4-9-13(8-14,10(15)16)5-7-18-9/h9H,4-8H2,1-3H3,(H,15,16)/t9-,13-/m1/s1
InChI Key:
ZPRFJQKYRCYHPF-NOZJJQNGSA-N
SMILES:
O=C(N1CC[C@@H]2[C@](C1)(CCO2)C(=O)O)OC(C)(C)C
Properties
Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
271.142g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
271.313g/mol
Monoisotopic Mass:
271.142g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties