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1287146-61-5 | Propanoic acid, 2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-3-(phenylmethoxy)-, (2R)-
CAS No: 1287146-61-5 Catalog No: AG000YBD MDL No:MFCD17012674
Product Description
Catalog Number:
AG000YBD
Chemical Name:
Propanoic acid, 2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-3-(phenylmethoxy)-, (2R)-
CAS Number:
1287146-61-5
Molecular Formula:
C16H23NO5
Molecular Weight:
309.3575
MDL Number:
MFCD17012674
IUPAC Name:
(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-phenylmethoxypropanoic acid
InChI:
InChI=1S/C16H23NO5/c1-16(2,3)22-15(20)17-9-13(14(18)19)11-21-10-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChI Key:
OKHSAIMUACRCDK-CYBMUJFWSA-N
SMILES:
OC(=O)[C@@H](COCc1ccccc1)CNC(=O)OC(C)(C)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
309.158g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.362g/mol
Monoisotopic Mass:
309.158g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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