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Home > Indoles and Oxindole > 158932-00-4
158932-00-4 | Carbamic acid, N-[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-, 1,1-dimethylethyl ester
CAS No: 158932-00-4 Catalog No: AG001R07 MDL No:MFCD00270221
Product Description
Catalog Number:
AG001R07
Chemical Name:
Carbamic acid, N-[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-, 1,1-dimethylethyl ester
CAS Number:
158932-00-4
Molecular Formula:
C16H22N2O3
Molecular Weight:
290.3575
MDL Number:
MFCD00270221
IUPAC Name:
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
InChI:
InChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-12(10-19)8-11-9-17-14-7-5-4-6-13(11)14/h4-7,9,12,17,19H,8,10H2,1-3H3,(H,18,20)/t12-/m1/s1
InChI Key:
JEFQUFUAEKORKL-GFCCVEGCSA-N
SMILES:
OC[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)OC(C)(C)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
290.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
290.363g/mol
Monoisotopic Mass:
290.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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