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160232-08-6 | Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester
CAS No: 160232-08-6 Catalog No: AG001RRK MDL No:MFCD15144668
Product Description
Catalog Number:
AG001RRK
Chemical Name:
Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester
CAS Number:
160232-08-6
Molecular Formula:
C19H32N2O3
Molecular Weight:
336.4690
MDL Number:
MFCD15144668
IUPAC Name:
tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate
InChI:
InChI=1S/C19H32N2O3/c1-14(2)12-20-13-17(22)16(11-15-9-7-6-8-10-15)21-18(23)24-19(3,4)5/h6-10,14,16-17,20,22H,11-13H2,1-5H3,(H,21,23)/t16-,17+/m0/s1
InChI Key:
NVEPLQDORJSXRO-DLBZAZTESA-N
SMILES:
CC(CNC[C@H]([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O)C
EC Number:
605-203-3
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
336.241g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
336.476g/mol
Monoisotopic Mass:
336.241g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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