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145012-49-3 | 2,5-Piperidinedicarboxylic acid, 5-Methyl ester, (2R,5S)-rel-
CAS No: 145012-49-3 Catalog No: AG001KGJ MDL No:
Product Description
Catalog Number:
AG001KGJ
Chemical Name:
2,5-Piperidinedicarboxylic acid, 5-Methyl ester, (2R,5S)-rel-
CAS Number:
145012-49-3
Molecular Formula:
C8H12NO4-
Molecular Weight:
186.1852
IUPAC Name:
(2R,5S)-5-methoxycarbonylpiperidine-2-carboxylic acid
InChI:
InChI=1S/C8H13NO4/c1-13-8(12)5-2-3-6(7(10)11)9-4-5/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6+/m0/s1
InChI Key:
ZDAGAXAGFIRGGV-NTSWFWBYSA-N
SMILES:
COC(=O)[C@H]1CC[C@@H](NC1)C(=O)[O-]
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
187.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.195g/mol
Monoisotopic Mass:
187.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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