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147081-59-2 | 1-Pyrrolidinecarboxylic acid, 3-(methylamino)-, 1,1-dimethylethyl ester, (3S)-
CAS No: 147081-59-2 Catalog No: AG001EKK MDL No:MFCD09752962
Product Description
Catalog Number:
AG001EKK
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(methylamino)-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
147081-59-2
Molecular Formula:
C10H20N2O2
Molecular Weight:
200.2780
MDL Number:
MFCD09752962
IUPAC Name:
tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-5-8(7-12)11-4/h8,11H,5-7H2,1-4H3/t8-/m0/s1
InChI Key:
OKUCEQDKBKYEJY-QMMMGPOBSA-N
SMILES:
CN[C@H]1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
200.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.282g/mol
Monoisotopic Mass:
200.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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