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1263283-92-6 | Pyrano[2,3-c]pyrrole-6(2H)-carboxylic acid, 2-(aminomethyl)hexahydro-, 1,1-dimethylethyl ester, (2R,4aR,7aS)-rel-
CAS No: 1263283-92-6 Catalog No: AG000SMJ MDL No:
Product Description
Catalog Number:
AG000SMJ
Chemical Name:
Pyrano[2,3-c]pyrrole-6(2H)-carboxylic acid, 2-(aminomethyl)hexahydro-, 1,1-dimethylethyl ester, (2R,4aR,7aS)-rel-
CAS Number:
1263283-92-6
Molecular Formula:
C13H24N2O3
Molecular Weight:
256.3413
IUPAC Name:
tert-butyl (2R,4aR,7aS)-2-(aminomethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole-6-carboxylate
InChI:
InChI=1S/C13H24N2O3/c1-13(2,3)18-12(16)15-7-9-4-5-10(6-14)17-11(9)8-15/h9-11H,4-8,14H2,1-3H3/t9-,10-,11-/m1/s1
InChI Key:
TVBWUDCQKYYGHN-GMTAPVOTSA-N
SMILES:
NC[C@H]1CC[C@H]2[C@H](O1)CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
256.179g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.346g/mol
Monoisotopic Mass:
256.179g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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