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30925-11-2 | Benzeneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]methylamino]-, (αS)-
CAS No: 30925-11-2 Catalog No: AG0031NO MDL No:MFCD00038799
Product Description
Catalog Number:
AG0031NO
Chemical Name:
Benzeneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]methylamino]-, (αS)-
CAS Number:
30925-11-2
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
MDL Number:
MFCD00038799
IUPAC Name:
(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid
InChI:
InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15(4)11(12(16)17)10-8-6-5-7-9-10/h5-9,11H,1-4H3,(H,16,17)/t11-/m0/s1
InChI Key:
COABPHLHHQAKPL-NSHDSACASA-N
SMILES:
O=C(OC(C)(C)C)CN[C@@H](c1ccccc1)C(=O)O
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
265.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.309g/mol
Monoisotopic Mass:
265.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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