Home Carboxys (3aR,6aS)-1-(tert-butoxycarbonyl)octahydrocyclopenta[b]pyrrole-3a-carboxylic acid

(3aR,6aS)-1-(tert-butoxycarbonyl)octahydrocyclopenta[b]pyrrole-3a-carboxylic acid

CAS No.:
2089246-61-5
Catalog Number:
AG01DHTF
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
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Product Description
Catalog Number:
AG01DHTF
Chemical Name:
(3aR,6aS)-1-(tert-butoxycarbonyl)octahydrocyclopenta[b]pyrrole-3a-carboxylic acid
CAS Number:
2089246-61-5
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
MDL Number:
MFCD30726997
IUPAC Name:
(3aR,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylic acid
InChI:
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-8-7-13(10(15)16)6-4-5-9(13)14/h9H,4-8H2,1-3H3,(H,15,16)/t9-,13+/m0/s1
InChI Key:
HERZQHQDMXBYJF-TVQRCGJNSA-N
SMILES:
O=C(N1CC[C@]2([C@@H]1CCC2)C(=O)O)OC(C)(C)C
Properties
Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
255.147g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.314g/mol
Monoisotopic Mass:
255.147g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties