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1141826-51-8 | 2-Piperidinecarboxylic acid, 1-(1-methylethyl)-, (2S)-
CAS No: 1141826-51-8 Catalog No: AG000AQ5 MDL No:
Product Description
Catalog Number:
AG000AQ5
Chemical Name:
2-Piperidinecarboxylic acid, 1-(1-methylethyl)-, (2S)-
CAS Number:
1141826-51-8
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
IUPAC Name:
(2S)-1-propan-2-ylpiperidine-2-carboxylic acid
InChI:
InChI=1S/C9H17NO2/c1-7(2)10-6-4-3-5-8(10)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)/t8-/m0/s1
InChI Key:
QFLCTAXQTJMMJD-QMMMGPOBSA-N
SMILES:
CC(N1CCCC[C@H]1C(=O)O)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
171.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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