Home Carbonyls 2-{[(tert-butoxy)carbonyl]amino}-2-(2-ethyl-1,3-thiazol-4-yl)acetic acid

2-{[(tert-butoxy)carbonyl]amino}-2-(2-ethyl-1,3-thiazol-4-yl)acetic acid

CAS No.:
438252-51-8
Catalog Number:
AG01C3JB
Molecular Formula:
C12H18N2O4S
Molecular Weight:
286.3473
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Product Description
Catalog Number:
AG01C3JB
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-2-(2-ethyl-1,3-thiazol-4-yl)acetic acid
CAS Number:
438252-51-8
Molecular Formula:
C12H18N2O4S
Molecular Weight:
286.3473
MDL Number:
MFCD29762811
IUPAC Name:
2-(2-ethyl-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
InChI:
InChI=1S/C12H18N2O4S/c1-5-8-13-7(6-19-8)9(10(15)16)14-11(17)18-12(2,3)4/h6,9H,5H2,1-4H3,(H,14,17)(H,15,16)
InChI Key:
FKADKJXCKBGVJE-UHFFFAOYSA-N
SMILES:
CCc1scc(n1)C(C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.099g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
286.346g/mol
Monoisotopic Mass:
286.099g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties