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1012059-95-8 | Carbamic acid, N-[(1R)-1-(hydroxymethyl)-3-(methylamino)-3-oxopropyl]-, phenylmethyl ester
CAS No: 1012059-95-8 Catalog No: AG0003Z2 MDL No:
Product Description
Catalog Number:
AG0003Z2
Chemical Name:
Carbamic acid, N-[(1R)-1-(hydroxymethyl)-3-(methylamino)-3-oxopropyl]-, phenylmethyl ester
CAS Number:
1012059-95-8
Molecular Formula:
C13H18N2O4
Molecular Weight:
266.2930
IUPAC Name:
benzyl N-[(2R)-1-hydroxy-4-(methylamino)-4-oxobutan-2-yl]carbamate
InChI:
InChI=1S/C13H18N2O4/c1-14-12(17)7-11(8-16)15-13(18)19-9-10-5-3-2-4-6-10/h2-6,11,16H,7-9H2,1H3,(H,14,17)(H,15,18)/t11-/m1/s1
InChI Key:
XRMGAGXSFYNNMO-LLVKDONJSA-N
SMILES:
OC[C@H](NC(=O)OCc1ccccc1)CC(=O)NC
Properties
Complexity:
290
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:
3
Isotope Atom Count:
0
Molecular Weight:
266.297g/mol
Monoisotopic Mass:
266.127g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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