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115186-33-9 | Carbamic acid, N-[(1R)-2-(methoxymethylamino)-2-oxo-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester
CAS No: 115186-33-9 Catalog No: AG000GE7 MDL No:MFCD18252762
Product Description
Catalog Number:
AG000GE7
Chemical Name:
Carbamic acid, N-[(1R)-2-(methoxymethylamino)-2-oxo-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester
CAS Number:
115186-33-9
Molecular Formula:
C16H24N2O4
Molecular Weight:
308.3728
MDL Number:
MFCD18252762
IUPAC Name:
tert-butyl N-[(2R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
InChI:
InChI=1S/C16H24N2O4/c1-16(2,3)22-15(20)17-13(14(19)18(4)21-5)11-12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3,(H,17,20)/t13-/m1/s1
InChI Key:
ZAHRDPIWMGLOQJ-CYBMUJFWSA-N
SMILES:
COCNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
308.174g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.378g/mol
Monoisotopic Mass:
308.174g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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