2-amino-3-fluoro-2,3-dimethyl-5-phosphonopentanoic acid

C7H15FNO5P — CID 158798368

IUPAC2-amino-3-fluoro-2,3-dimethyl-5-phosphonopentanoic acid
SMILESCC(F)(CCP(=O)(O)O)C(C)(N)C(=O)O
InChIInChI=1S/C7H15FNO5P/c1-6(8,3-4-15(12,13)14)7(2,9)5(10)11/h3-4,9H2,1-2H3,(H,10,11)(H2,12,13,14)
InChIKeyITDPIXACOCZRBU-UHFFFAOYSA-N
MW243.17 g/mol
LogP0.08
Rot. Bonds5

About 2-amino-3-fluoro-2,3-dimethyl-5-phosphonopentanoic acid

2-amino-3-fluoro-2,3-dimethyl-5-phosphonopentanoic acid (PubChem CID 158798368) has the molecular formula C7H15FNO5P and a molecular weight of 243.17 g/mol. Its IUPAC name is 2-amino-3-fluoro-2,3-dimethyl-5-phosphonopentanoic acid.

Molecular Properties

Compound Name2-amino-3-fluoro-2,3-dimethyl-5-phosphonopentanoic acid
PubChem CID158798368
Molecular FormulaC7H15FNO5P
Molecular Weight243.17 g/mol
Exact Mass243.07
IUPAC Name2-amino-3-fluoro-2,3-dimethyl-5-phosphonopentanoic acid
SMILESCC(F)(CCP(=O)(O)O)C(C)(N)C(=O)O
InChIInChI=1S/C7H15FNO5P/c1-6(8,3-4-15(12,13)14)7(2,9)5(10)11/h3-4,9H2,1-2H3,(H,10,11)(H2,12,13,14)
InChIKeyITDPIXACOCZRBU-UHFFFAOYSA-N
XLogP0.08
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.17
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-2-methyl-4-phosphonobutanoic acid chloride
CID 53313139
3,3-dimethylbutylphosphonic acid
CID 15402429
2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide
CID 173177783
2-methyl-2-nitroso-5-phosphonopentanoic acid
CID 174409402
(4-ethoxy-3,3-dimethyl-4-oxobutyl)phosphonic acid
CID 87358725
(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-phosphonodecyl)phosphonic acid
CID 155293680
[3-methyl-3-(2-methylprop-2-enoylamino)butyl]phosphonic acid
CID 87771282
2-phosphono-2-(2-phosphonoethyl)butanedioic acid
CID 12543052
2-amino-2,3,3-trimethylbutanoic acid;dihydrochloride
CID 140576476
phosphoric acid;2,2,2-trifluoroacetic acid
CID 87428965
(4-butoxy-3,3-dimethyl-4-oxobutyl)phosphonic acid
CID 87359088
(2S)-2-amino-2-fluoro-4-methylsulfanylbutanoic acid
CID 174641982

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-2,3-dimethyl-5-phosphonopentanoic acid?
The IUPAC name of 2-amino-3-fluoro-2,3-dimethyl-5-phosphonopentanoic acid (CID 158798368) is 2-amino-3-fluoro-2,3-dimethyl-5-phosphonopentanoic acid.
What is the SMILES notation for 2-amino-3-fluoro-2,3-dimethyl-5-phosphonopentanoic acid?
The canonical SMILES for 2-amino-3-fluoro-2,3-dimethyl-5-phosphonopentanoic acid is CC(F)(CCP(=O)(O)O)C(C)(N)C(=O)O.
What is the InChIKey of 2-amino-3-fluoro-2,3-dimethyl-5-phosphonopentanoic acid?
The InChIKey is ITDPIXACOCZRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FNO5P/c1-6(8,3-4-15(12,13)14)7(2,9)5(10)11/h3-4,9H2,1-2H3,(H,10,11)(H2,12,13,14).
What are the key properties of 2-amino-3-fluoro-2,3-dimethyl-5-phosphonopentanoic acid?
2-amino-3-fluoro-2,3-dimethyl-5-phosphonopentanoic acid has a molecular weight of 243.17 g/mol, XLogP of 0.08, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-2,3-dimethyl-5-phosphonopentanoic acid is sourced from PubChem (CID 158798368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).