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188854-33-3 | 4-Piperidinecarboxylic acid, 1-[[(1,2-dimethylpropyl)amino]carbonyl]-
CAS No: 188854-33-3 Catalog No: AG002HEL MDL No:
Product Description
Catalog Number:
AG002HEL
Chemical Name:
4-Piperidinecarboxylic acid, 1-[[(1,2-dimethylpropyl)amino]carbonyl]-
CAS Number:
188854-33-3
Molecular Formula:
C12H22N2O3
Molecular Weight:
242.3147
IUPAC Name:
1-(3-methylbutan-2-ylcarbamoyl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C12H22N2O3/c1-8(2)9(3)13-12(17)14-6-4-10(5-7-14)11(15)16/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChI Key:
YNYILTBSHBDORR-UHFFFAOYSA-N
SMILES:
CC(C(C)C)NC(=O)N1CCC(CC1)C(=O)O
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.163g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.319g/mol
Monoisotopic Mass:
242.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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