Home Carboxys 2-(1-{[(tert-butoxy)carbonyl]amino}ethyl)-1,3-thiazole-4-carboxylic acid

2-(1-{[(tert-butoxy)carbonyl]amino}ethyl)-1,3-thiazole-4-carboxylic acid

CAS No.:
605667-95-6
Catalog Number:
AG01EKF9
Molecular Formula:
C11H16N2O4S
Molecular Weight:
272.3207
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Product Description
Catalog Number:
AG01EKF9
Chemical Name:
2-(1-{[(tert-butoxy)carbonyl]amino}ethyl)-1,3-thiazole-4-carboxylic acid
CAS Number:
605667-95-6
Molecular Formula:
C11H16N2O4S
Molecular Weight:
272.3207
MDL Number:
MFCD21763476
IUPAC Name:
2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C11H16N2O4S/c1-6(12-10(16)17-11(2,3)4)8-13-7(5-18-8)9(14)15/h5-6H,1-4H3,(H,12,16)(H,14,15)
InChI Key:
RMWBWHVGORCVAB-UHFFFAOYSA-N
SMILES:
CC(c1scc(n1)C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
330  
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:
5  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties