Home Carboxys 1-[(tert-butoxy)carbonyl]-3-oxo-decahydroquinoxaline-6-carboxylic acid

1-[(tert-butoxy)carbonyl]-3-oxo-decahydroquinoxaline-6-carboxylic acid

CAS No.:
1820619-53-1
Catalog Number:
AG01AMSO
Molecular Formula:
C14H22N2O5
Molecular Weight:
298.3349
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Product Description
Catalog Number:
AG01AMSO
Chemical Name:
1-[(tert-butoxy)carbonyl]-3-oxo-decahydroquinoxaline-6-carboxylic acid
CAS Number:
1820619-53-1
Molecular Formula:
C14H22N2O5
Molecular Weight:
298.3349
MDL Number:
MFCD29034000
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-6-carboxylic acid
InChI:
InChI=1S/C14H22N2O5/c1-14(2,3)21-13(20)16-7-11(17)15-9-6-8(12(18)19)4-5-10(9)16/h8-10H,4-7H2,1-3H3,(H,15,17)(H,18,19)
InChI Key:
YCGDPSZZGRAOMF-UHFFFAOYSA-N
SMILES:
O=C1NC2CC(CCC2N(C1)C(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
457  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.153g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
298.339g/mol
Monoisotopic Mass:
298.153g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties