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156038-84-5 | 1-Pyrrolidinecarboxylic acid, 2,5-dimethyl-, 1,1-dimethylethyl ester, (2S,5S)-
CAS No: 156038-84-5 Catalog No: AG001OH6 MDL No:
Product Description
Catalog Number:
AG001OH6
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2,5-dimethyl-, 1,1-dimethylethyl ester, (2S,5S)-
CAS Number:
156038-84-5
Molecular Formula:
C11H21NO2
Molecular Weight:
199.2899
IUPAC Name:
tert-butyl (2S,5S)-2,5-dimethylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C11H21NO2/c1-8-6-7-9(2)12(8)10(13)14-11(3,4)5/h8-9H,6-7H2,1-5H3/t8-,9-/m0/s1
InChI Key:
FZSBLLYQAULJDU-IUCAKERBSA-N
SMILES:
C[C@H]1CC[C@@H](N1C(=O)OC(C)(C)C)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
199.157g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.294g/mol
Monoisotopic Mass:
199.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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