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126453-07-4 | 2-Piperazinecarboxylic acid, 4-(3-phosphonopropyl)-, (2R)-
CAS No: 126453-07-4 Catalog No: AG000STA MDL No:
Product Description
Catalog Number:
AG000STA
Chemical Name:
2-Piperazinecarboxylic acid, 4-(3-phosphonopropyl)-, (2R)-
CAS Number:
126453-07-4
Molecular Formula:
C8H17N2O5P
Molecular Weight:
252.2047
IUPAC Name:
(2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid
InChI:
InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)/t7-/m1/s1
InChI Key:
CUVGUPIVTLGRGI-SSDOTTSWSA-N
SMILES:
OC(=O)[C@@H]1NCCN(C1)CCCP(=O)(O)O
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
252.088g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
252.207g/mol
Monoisotopic Mass:
252.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.8
Literature
| Title | Journal |
|---|---|
| Design, synthesis and biological evaluation of novel bicyclo[1.1.1]pentane-based omega-acidic amino acids as glutamate receptors ligands. | Bioorganic & medicinal chemistry 20090101 |
| Synthesis and pharmacology of N1-substituted piperazine-2,3-dicarboxylic acid derivatives acting as NMDA receptor antagonists. | Journal of medicinal chemistry 20050407 |
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