Home Carbonyls 3-(2-{[(tert-butoxy)carbonyl]amino}-1,3-thiazol-5-yl)propanoic acid

3-(2-{[(tert-butoxy)carbonyl]amino}-1,3-thiazol-5-yl)propanoic acid

CAS No.:
920313-46-8
Catalog Number:
AG01BTKO
Molecular Formula:
C11H16N2O4S
Molecular Weight:
272.3207
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Product Description
Catalog Number:
AG01BTKO
Chemical Name:
3-(2-{[(tert-butoxy)carbonyl]amino}-1,3-thiazol-5-yl)propanoic acid
CAS Number:
920313-46-8
Molecular Formula:
C11H16N2O4S
Molecular Weight:
272.3207
MDL Number:
MFCD18822168
IUPAC Name:
3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoic acid
InChI:
InChI=1S/C11H16N2O4S/c1-11(2,3)17-10(16)13-9-12-6-7(18-9)4-5-8(14)15/h6H,4-5H2,1-3H3,(H,14,15)(H,12,13,16)
InChI Key:
AQWAPXTXWILCBI-UHFFFAOYSA-N
SMILES:
O=C(Nc1ncc(s1)CCC(=O)O)OC(C)(C)C
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.083g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
272.319g/mol
Monoisotopic Mass:
272.083g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties