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1417317-03-3 | Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, 5-aminohexahydro-, 1,1-dimethylethyl ester, (3aR,6aS)-rel-
CAS No: 1417317-03-3 Catalog No: AG001GY9 MDL No:
Product Description
Catalog Number:
AG001GY9
Chemical Name:
Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, 5-aminohexahydro-, 1,1-dimethylethyl ester, (3aR,6aS)-rel-
CAS Number:
1417317-03-3
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
IUPAC Name:
tert-butyl (3aS,6aS)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
InChI:
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-6-8-4-10(13)5-9(8)7-14/h8-10H,4-7,13H2,1-3H3/t8-,9-/m1/s1
InChI Key:
DPYIUHWPQGIBSS-RKDXNWHRSA-N
SMILES:
NC1C[C@@H]2[C@H](C1)CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
226.168g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.32g/mol
Monoisotopic Mass:
226.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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