Home Carbonyls (3S)-3-{[(tert-butoxy)carbonyl]amino}-5-methoxy-5-oxopentanoic acid

(3S)-3-{[(tert-butoxy)carbonyl]amino}-5-methoxy-5-oxopentanoic acid

CAS No.:
82803-56-3
Catalog Number:
AG01EKEJ
Molecular Formula:
C11H19NO6
Molecular Weight:
261.2717
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Product Description
Catalog Number:
AG01EKEJ
Chemical Name:
(3S)-3-{[(tert-butoxy)carbonyl]amino}-5-methoxy-5-oxopentanoic acid
CAS Number:
82803-56-3
Molecular Formula:
C11H19NO6
Molecular Weight:
261.2717
MDL Number:
MFCD31615748
IUPAC Name:
(3S)-5-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
InChI:
InChI=1S/C11H19NO6/c1-11(2,3)18-10(16)12-7(5-8(13)14)6-9(15)17-4/h7H,5-6H2,1-4H3,(H,12,16)(H,13,14)/t7-/m0/s1
InChI Key:
HILWCLQKTLMHJT-ZETCQYMHSA-N
SMILES:
COC(=O)C[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
261.121g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
261.274g/mol
Monoisotopic Mass:
261.121g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties