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1217710-00-3 | Benzeneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methoxy-, (αS)-
CAS No: 1217710-00-3 Catalog No: AG0015X6 MDL No:MFCD07371752
Product Description
Catalog Number:
AG0015X6
Chemical Name:
Benzeneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methoxy-, (αS)-
CAS Number:
1217710-00-3
Molecular Formula:
C14H19NO5
Molecular Weight:
281.3044
MDL Number:
MFCD07371752
IUPAC Name:
(2S)-2-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
InChI:
InChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-11(12(16)17)9-7-5-6-8-10(9)19-4/h5-8,11H,1-4H3,(H,15,18)(H,16,17)/t11-/m0/s1
InChI Key:
KRHZKJYHTQGZGS-NSHDSACASA-N
SMILES:
COc1ccccc1[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
281.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.308g/mol
Monoisotopic Mass:
281.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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