Home Carboxys 1-(tert-butoxycarbonyl)-octahydro-1H-pyrrolo[3,2-c]pyridine-3a-carboxylicacid-B28337

1-(tert-butoxycarbonyl)-octahydro-1H-pyrrolo[3,2-c]pyridine-3a-carboxylicacid-B28337

CAS No.:
1334416-52-2
Catalog Number:
AG019G3K
Molecular Formula:
C13H22N2O4
Molecular Weight:
270.3248
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Product Description
Catalog Number:
AG019G3K
Chemical Name:
1-(tert-butoxycarbonyl)-octahydro-1H-pyrrolo[3,2-c]pyridine-3a-carboxylicacid-B28337
CAS Number:
1334416-52-2
Molecular Formula:
C13H22N2O4
Molecular Weight:
270.3248
MDL Number:
MFCD19686933
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-3a-carboxylic acid
InChI:
InChI=1S/C13H22N2O4/c1-12(2,3)19-11(18)15-7-5-13(10(16)17)8-14-6-4-9(13)15/h9,14H,4-8H2,1-3H3,(H,16,17)
InChI Key:
NXSFCOFBYPGVMY-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(C1CCNC2)C(=O)O)OC(C)(C)C
Properties
Complexity:
391  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.158g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
270.329g/mol
Monoisotopic Mass:
270.158g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9  
Properties