Home Carbonyls 2-[(6S)-5-[(tert-butoxy)carbonyl]-5-azaspiro[2.4]heptan-6-yl]acetic acid

2-[(6S)-5-[(tert-butoxy)carbonyl]-5-azaspiro[2.4]heptan-6-yl]acetic acid

CAS No.:
1980007-50-8
Catalog Number:
AG01EKXL
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
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Product Description
Catalog Number:
AG01EKXL
Chemical Name:
2-[(6S)-5-[(tert-butoxy)carbonyl]-5-azaspiro[2.4]heptan-6-yl]acetic acid
CAS Number:
1980007-50-8
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
MDL Number:
MFCD28396431
IUPAC Name:
2-[(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]acetic acid
InChI:
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-8-13(4-5-13)7-9(14)6-10(15)16/h9H,4-8H2,1-3H3,(H,15,16)/t9-/m1/s1
InChI Key:
WMGGZPIMJCRAPS-SECBINFHSA-N
SMILES:
O=C(N1CC2(C[C@H]1CC(=O)O)CC2)OC(C)(C)C
Properties
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
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:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties