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114744-83-1 | Carbamic acid, N-[(1S)-2-(methoxymethylamino)-1-methyl-2-oxoethyl]-, phenylmethyl ester
CAS No: 114744-83-1 Catalog No: AG000F4Z MDL No:
Product Description
Catalog Number:
AG000F4Z
Chemical Name:
Carbamic acid, N-[(1S)-2-(methoxymethylamino)-1-methyl-2-oxoethyl]-, phenylmethyl ester
CAS Number:
114744-83-1
Molecular Formula:
C13H18N2O4
Molecular Weight:
266.2930
IUPAC Name:
benzyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
InChI:
InChI=1S/C13H18N2O4/c1-10(12(16)15(2)18-3)14-13(17)19-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,14,17)/t10-/m0/s1
InChI Key:
JJWLCBIYQXRMNO-JTQLQIEISA-N
SMILES:
COCNC(=O)[C@@H](NC(=O)OCc1ccccc1)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
266.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.297g/mol
Monoisotopic Mass:
266.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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