phosphono (2R)-2,5-diaminopentanoate;hydrofluoride

C5H14FN2O5P — CID 88815314

IUPACphosphono (2R)-2,5-diaminopentanoate;hydrofluoride
SMILESF.NCCC[C@@H](N)C(=O)OP(=O)(O)O
InChIInChI=1S/C5H13N2O5P.FH/c6-3-1-2-4(7)5(8)12-13(9,10)11;/h4H,1-3,6-7H2,(H2,9,10,11);1H/t4-;/m1./s1
InChIKeyWMIVDQGZLIRHRA-PGMHMLKASA-N
MW232.15 g/mol
LogP-1.16
Rot. Bonds5

About phosphono (2R)-2,5-diaminopentanoate;hydrofluoride

phosphono (2R)-2,5-diaminopentanoate;hydrofluoride (PubChem CID 88815314) has the molecular formula C5H14FN2O5P and a molecular weight of 232.15 g/mol. Its IUPAC name is phosphono (2R)-2,5-diaminopentanoate;hydrofluoride.

Molecular Properties

Compound Namephosphono (2R)-2,5-diaminopentanoate;hydrofluoride
PubChem CID88815314
Molecular FormulaC5H14FN2O5P
Molecular Weight232.15 g/mol
Exact Mass232.06
IUPAC Namephosphono (2R)-2,5-diaminopentanoate;hydrofluoride
SMILESF.NCCC[C@@H](N)C(=O)OP(=O)(O)O
InChIInChI=1S/C5H13N2O5P.FH/c6-3-1-2-4(7)5(8)12-13(9,10)11;/h4H,1-3,6-7H2,(H2,9,10,11);1H/t4-;/m1./s1
InChIKeyWMIVDQGZLIRHRA-PGMHMLKASA-N
XLogP-1.16
TPSA135.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

phosphono (2S)-2,6-diaminohexanoate
CID 57260798
phosphono (2S)-2-amino-5-(carbamoylamino)pentanoate
CID 175024515
phosphono (2S)-2,6-diaminohexaneperoxoate
CID 54525667
ethane;methyl 2,5-diaminopentanoate
CID 142442335
fluoromethyl (2S)-2,5-diaminopentanoate
CID 22811750
(2-phosphonooxyacetyl) (2S)-2,6-diaminohexanoate
CID 174743807
amino (2S)-2,6-diaminohexanoate
CID 18651785
4-aminobutanoyl (2R)-2,5-diaminopentanoate
CID 174727380
2,5-diaminopentanoic acid;phosphono dihydrogen phosphate;pyrrolidine
CID 174603906
calcium;hydride;hydron;(2-phosphonooxyacetyl) (2S)-2,6-diaminohexanoate
CID 174743806
zinc 2,5-diaminopentanoic acid
CID 56838280
bis(2,5-diaminopentanoic acid);trihydrochloride
CID 175233947

Frequently Asked Questions

What is the IUPAC name of phosphono (2R)-2,5-diaminopentanoate;hydrofluoride?
The IUPAC name of phosphono (2R)-2,5-diaminopentanoate;hydrofluoride (CID 88815314) is phosphono (2R)-2,5-diaminopentanoate;hydrofluoride.
What is the SMILES notation for phosphono (2R)-2,5-diaminopentanoate;hydrofluoride?
The canonical SMILES for phosphono (2R)-2,5-diaminopentanoate;hydrofluoride is F.NCCC[C@@H](N)C(=O)OP(=O)(O)O.
What is the InChIKey of phosphono (2R)-2,5-diaminopentanoate;hydrofluoride?
The InChIKey is WMIVDQGZLIRHRA-PGMHMLKASA-N. The full InChI is InChI=1S/C5H13N2O5P.FH/c6-3-1-2-4(7)5(8)12-13(9,10)11;/h4H,1-3,6-7H2,(H2,9,10,11);1H/t4-;/m1./s1.
What are the key properties of phosphono (2R)-2,5-diaminopentanoate;hydrofluoride?
phosphono (2R)-2,5-diaminopentanoate;hydrofluoride has a molecular weight of 232.15 g/mol, XLogP of -1.16, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono (2R)-2,5-diaminopentanoate;hydrofluoride is sourced from PubChem (CID 88815314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).