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145512-35-2 | 4-Piperidinebutanoic acid, 2-carboxy-, (2R,4S)-
CAS No: 145512-35-2 Catalog No: AG001D4W MDL No:
Product Description
Catalog Number:
AG001D4W
Chemical Name:
4-Piperidinebutanoic acid, 2-carboxy-, (2R,4S)-
CAS Number:
145512-35-2
Molecular Formula:
C10H17NO4
Molecular Weight:
215.2463
IUPAC Name:
(2R,4S)-4-(3-carboxypropyl)piperidine-2-carboxylic acid
InChI:
InChI=1S/C10H17NO4/c12-9(13)3-1-2-7-4-5-11-8(6-7)10(14)15/h7-8,11H,1-6H2,(H,12,13)(H,14,15)/t7-,8+/m0/s1
InChI Key:
UDPZLTQBSHPQHX-JGVFFNPUSA-N
SMILES:
OC(=O)CCC[C@H]1CCN[C@H](C1)C(=O)O
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
215.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
215.249g/mol
Monoisotopic Mass:
215.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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