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1630906-64-7 | Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, 5-aminohexahydro-, 1,1-dimethylethyl ester, hydrochloride (1:1), (3aα,5β,6aα)-
CAS No: 1630906-64-7 Catalog No: AG001TQ3 MDL No:MFCD28166308
Product Description
Catalog Number:
AG001TQ3
Chemical Name:
Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, 5-aminohexahydro-, 1,1-dimethylethyl ester, hydrochloride (1:1), (3aα,5β,6aα)-
CAS Number:
1630906-64-7
Molecular Formula:
C12H23ClN2O2
Molecular Weight:
262.7762
MDL Number:
MFCD28166308
IUPAC Name:
tert-butyl (3aS,6aS)-5-amino-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;hydrochloride
InChI:
InChI=1S/C12H20N2O2.ClH/c1-12(2,3)16-11(15)14-6-8-4-10(13)5-9(8)7-14;/h4,8-9H,5-7,13H2,1-3H3;1H/t8-,9+;/m0./s1
InChI Key:
PCQGNQYEGYXYCQ-OULXEKPRSA-N
SMILES:
N[C@@H]1C[C@H]2[C@@H](C1)CN(C2)C(=O)OC(C)(C)C.Cl
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
260.129g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.762g/mol
Monoisotopic Mass:
260.129g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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