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1630815-50-7 | 1-Pyrrolidinecarboxylic acid, 2-(aminomethyl)-2-ethyl-, 1,1-dimethylethyl ester, (2S)-
CAS No: 1630815-50-7 Catalog No: AG001TOI MDL No:MFCD27987098
Product Description
Catalog Number:
AG001TOI
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(aminomethyl)-2-ethyl-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
1630815-50-7
Molecular Formula:
C12H24N2O2
Molecular Weight:
228.3312
MDL Number:
MFCD27987098
IUPAC Name:
tert-butyl (2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H24N2O2/c1-5-12(9-13)7-6-8-14(12)10(15)16-11(2,3)4/h5-9,13H2,1-4H3/t12-/m0/s1
InChI Key:
ZYKIXJFPSFUIRP-LBPRGKRZSA-N
SMILES:
CC[C@@]1(CN)CCCN1C(=O)OC(C)(C)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
228.184g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.336g/mol
Monoisotopic Mass:
228.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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