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Home > Other Heterocycles > 705949-12-8
705949-12-8 | (1S,2S,3R,5S)-(2,6,6-TRIMETHYL-3-METHYLCARBAMOYL-BICYCLO[3.1.1]HEPT-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER
CAS No: 705949-12-8 Catalog No: AG0066ZH MDL No:
Product Description
Catalog Number:
AG0066ZH
Chemical Name:
(1S,2S,3R,5S)-(2,6,6-TRIMETHYL-3-METHYLCARBAMOYL-BICYCLO[3.1.1]HEPT-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER
CAS Number:
705949-12-8
Molecular Formula:
C17H30N2O3
Molecular Weight:
310.4317
IUPAC Name:
tert-butyl N-[(1S,2S,3R,5S)-2,6,6-trimethyl-3-(methylcarbamoyl)-2-bicyclo[3.1.1]heptanyl]carbamate
InChI:
InChI=1S/C17H30N2O3/c1-15(2,3)22-14(21)19-17(6)11(13(20)18-7)8-10-9-12(17)16(10,4)5/h10-12H,8-9H2,1-7H3,(H,18,20)(H,19,21)/t10-,11+,12+,17-/m1/s1
InChI Key:
YYIOUIMMZRRKRK-XSLLRJJBSA-N
SMILES:
CNC(=O)[C@@H]1C[C@@H]2C[C@H]([C@]1(C)NC(=O)OC(C)(C)C)C2(C)C
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
310.226g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.438g/mol
Monoisotopic Mass:
310.226g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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