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119434-75-2 | 4-Thiazolepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-
CAS No: 119434-75-2 Catalog No: AG000IRQ MDL No:MFCD00079682
Product Description
Catalog Number:
AG000IRQ
Chemical Name:
4-Thiazolepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-
CAS Number:
119434-75-2
Molecular Formula:
C11H16N2O4S
Molecular Weight:
272.3207
MDL Number:
MFCD00079682
IUPAC Name:
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoic acid
InChI:
InChI=1S/C11H16N2O4S/c1-11(2,3)17-10(16)13-8(9(14)15)4-7-5-18-6-12-7/h5-6,8H,4H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1
InChI Key:
RVXBTZJECMMZSB-QMMMGPOBSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ncsc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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
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