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499995-75-4 | (S);-3-((tert-Butoxycarbonyl);amino);-3-(m-tolyl);propanoic acid
CAS No: 499995-75-4 Catalog No: AG003CN5 MDL No:MFCD03427896
Product Description
Catalog Number:
AG003CN5
Chemical Name:
(S);-3-((tert-Butoxycarbonyl);amino);-3-(m-tolyl);propanoic acid
CAS Number:
499995-75-4
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
MDL Number:
MFCD03427896
IUPAC Name:
(3S)-3-(3-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C15H21NO4/c1-10-6-5-7-11(8-10)12(9-13(17)18)16-14(19)20-15(2,3)4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChI Key:
XICHKLMIOJEDAM-LBPRGKRZSA-N
SMILES:
OC(=O)C[C@@H](c1cccc(c1)C)NC(=O)OC(C)(C)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
279.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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