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1289584-93-5 | 1-Pyrrolidinecarboxylic acid, 3-(cyclopropylamino)-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1289584-93-5 Catalog No: AG000YPF MDL No:MFCD18837100
Product Description
Catalog Number:
AG000YPF
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(cyclopropylamino)-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1289584-93-5
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
MDL Number:
MFCD18837100
IUPAC Name:
tert-butyl (3R)-3-(cyclopropylamino)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-6-10(8-14)13-9-4-5-9/h9-10,13H,4-8H2,1-3H3/t10-/m1/s1
InChI Key:
KYEGQEQHIFRJSY-SNVBAGLBSA-N
SMILES:
O=C(N1CC[C@H](C1)NC1CC1)OC(C)(C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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