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1630815-58-5 | 1-Pyrrolidinecarboxylic acid, 2-(aminomethyl)-2-(2-methylpropyl)-, 1,1-dimethylethyl ester, (2R)-
CAS No: 1630815-58-5 Catalog No: AG001TOC MDL No:MFCD28166333
Product Description
Catalog Number:
AG001TOC
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(aminomethyl)-2-(2-methylpropyl)-, 1,1-dimethylethyl ester, (2R)-
CAS Number:
1630815-58-5
Molecular Formula:
C14H28N2O2
Molecular Weight:
256.3843
MDL Number:
MFCD28166333
IUPAC Name:
tert-butyl (2R)-2-(aminomethyl)-2-(2-methylpropyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C14H28N2O2/c1-11(2)9-14(10-15)7-6-8-16(14)12(17)18-13(3,4)5/h11H,6-10,15H2,1-5H3/t14-/m1/s1
InChI Key:
YTQAXOJHSREFSY-CQSZACIVSA-N
SMILES:
NC[C@@]1(CCCN1C(=O)OC(C)(C)C)CC(C)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
256.215g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.39g/mol
Monoisotopic Mass:
256.215g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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