Home Carbonyls (3S)-3-{[(tert-butoxy)carbonyl]amino}-6-methoxy-6-oxohexanoic acid

(3S)-3-{[(tert-butoxy)carbonyl]amino}-6-methoxy-6-oxohexanoic acid

CAS No.:
222846-98-2
Catalog Number:
AG01DW8S
Molecular Formula:
C12H21NO6
Molecular Weight:
275.2982
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Product Description
Catalog Number:
AG01DW8S
Chemical Name:
(3S)-3-{[(tert-butoxy)carbonyl]amino}-6-methoxy-6-oxohexanoic acid
CAS Number:
222846-98-2
Molecular Formula:
C12H21NO6
Molecular Weight:
275.2982
MDL Number:
MFCD29076497
IUPAC Name:
6-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
InChI:
InChI=1S/C12H21NO6/c1-12(2,3)19-11(17)13-8(7-9(14)15)5-6-10(16)18-4/h8H,5-7H2,1-4H3,(H,13,17)(H,14,15)
InChI Key:
BQRPQYGOOWCDMZ-UHFFFAOYSA-N
SMILES:
COC(=O)CC[C@H](NC(=O)OC(C)(C)C)CC(=O)O
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.137g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
275.301g/mol
Monoisotopic Mass:
275.137g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties