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1314769-73-7 | Carbamic acid, N-[(1R)-2-amino-1-[(1,1-dimethylethoxy)methyl]-2-oxoethyl]-, 1,1-dimethylethyl ester
CAS No: 1314769-73-7 Catalog No: AG000W91 MDL No:MFCD30179614
Product Description
Catalog Number:
AG000W91
Chemical Name:
Carbamic acid, N-[(1R)-2-amino-1-[(1,1-dimethylethoxy)methyl]-2-oxoethyl]-, 1,1-dimethylethyl ester
CAS Number:
1314769-73-7
Molecular Formula:
C12H24N2O4
Molecular Weight:
260.3300
MDL Number:
MFCD30179614
IUPAC Name:
tert-butyl N-[(2S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamate
InChI:
InChI=1S/C12H24N2O4/c1-11(2,3)17-7-8(9(13)15)14-10(16)18-12(4,5)6/h8H,7H2,1-6H3,(H2,13,15)(H,14,16)/t8-/m0/s1
InChI Key:
HKSVXELAMSIORF-QMMMGPOBSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](C(=O)N)COC(C)(C)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
260.174g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.334g/mol
Monoisotopic Mass:
260.174g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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