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499995-77-6 | (S)-3-((tert-Butoxycarbonyl)amino)-3-(3-methoxyphenyl)propanoic acid
CAS No: 499995-77-6 Catalog No: AG003CN4 MDL No:MFCD03427899
Product Description
Catalog Number:
AG003CN4
Chemical Name:
(S)-3-((tert-Butoxycarbonyl)amino)-3-(3-methoxyphenyl)propanoic acid
CAS Number:
499995-77-6
Molecular Formula:
C15H21NO5
Molecular Weight:
295.3309
MDL Number:
MFCD03427899
IUPAC Name:
(3S)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(9-13(17)18)10-6-5-7-11(8-10)20-4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChI Key:
DNXONWHJJNOKEU-LBPRGKRZSA-N
SMILES:
COc1cccc(c1)[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
295.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.335g/mol
Monoisotopic Mass:
295.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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