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33130-97-1 | (R);-2-((tert-Butoxycarbonyl);amino);-2-(thiophen-3-yl);acetic acid
CAS No: 33130-97-1 Catalog No: AG003OEQ MDL No:MFCD02682481
Product Description
Catalog Number:
AG003OEQ
Chemical Name:
(R);-2-((tert-Butoxycarbonyl);amino);-2-(thiophen-3-yl);acetic acid
CAS Number:
33130-97-1
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
MDL Number:
MFCD02682481
IUPAC Name:
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-3-ylacetic acid
InChI:
InChI=1S/C11H15NO4S/c1-11(2,3)16-10(15)12-8(9(13)14)7-4-5-17-6-7/h4-6,8H,1-3H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChI Key:
VJYLMXXKPBZDHN-MRVPVSSYSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](c1cscc1)C(=O)O
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
257.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.304g/mol
Monoisotopic Mass:
257.072g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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