cyanophosphonic acid;2-methylpropanoic acid

C5H10NO5P — CID 174906922

IUPACcyanophosphonic acid;2-methylpropanoic acid
SMILESCC(C)C(=O)O.N#CP(=O)(O)O
InChIInChI=1S/C4H8O2.CH2NO3P/c1-3(2)4(5)6;2-1-6(3,4)5/h3H,1-2H3,(H,5,6);(H2,3,4,5)
InChIKeyFASGYHSFKJAUFG-UHFFFAOYSA-N
MW195.11 g/mol
LogP0.37
Rot. Bonds1

About cyanophosphonic acid;2-methylpropanoic acid

cyanophosphonic acid;2-methylpropanoic acid (PubChem CID 174906922) has the molecular formula C5H10NO5P and a molecular weight of 195.11 g/mol. Its IUPAC name is cyanophosphonic acid;2-methylpropanoic acid.

Molecular Properties

Compound Namecyanophosphonic acid;2-methylpropanoic acid
PubChem CID174906922
Molecular FormulaC5H10NO5P
Molecular Weight195.11 g/mol
Exact Mass195.03
IUPAC Namecyanophosphonic acid;2-methylpropanoic acid
SMILESCC(C)C(=O)O.N#CP(=O)(O)O
InChIInChI=1S/C4H8O2.CH2NO3P/c1-3(2)4(5)6;2-1-6(3,4)5/h3H,1-2H3,(H,5,6);(H2,3,4,5)
InChIKeyFASGYHSFKJAUFG-UHFFFAOYSA-N
XLogP0.37
TPSA118.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.11
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-3-phosphonopropanoic acid
CID 14904918
Phosphonoisobutyric acid
CID 14366342
azane;[(2R)-2-carboxypropyl]-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;methane
CID 42626599
CID 90813697
CID 90813697
2-Carboxypropyl-hydroxy-oxophosphanium
CID 12164894
2-Carboxypropan-2-yl-hydroxy-oxophosphanium
CID 14366328
3-[Hydroxy(methyl)phosphoryl]-2-methylpropanoic acid
CID 18721633
2-Methylpropanoic acid;phosphenous acid
CID 22447137
3-[Hydroxy(2-methylpropyl)phosphoryl]propanoic acid
CID 46216499
3-(Ethylhydroxyphosphinyl)-2-methylpropionic acid
CID 46216500
3-[Hydroxy(propyl)phosphoryl]-2-methylpropanoic acid
CID 46216501
3-[Hydroxy(propan-2-yl)phosphoryl]-2-methylpropanoic acid
CID 46216502

Frequently Asked Questions

What is the IUPAC name of cyanophosphonic acid;2-methylpropanoic acid?
The IUPAC name of cyanophosphonic acid;2-methylpropanoic acid (CID 174906922) is cyanophosphonic acid;2-methylpropanoic acid.
What is the SMILES notation for cyanophosphonic acid;2-methylpropanoic acid?
The canonical SMILES for cyanophosphonic acid;2-methylpropanoic acid is CC(C)C(=O)O.N#CP(=O)(O)O.
What is the InChIKey of cyanophosphonic acid;2-methylpropanoic acid?
The InChIKey is FASGYHSFKJAUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.CH2NO3P/c1-3(2)4(5)6;2-1-6(3,4)5/h3H,1-2H3,(H,5,6);(H2,3,4,5).
What are the key properties of cyanophosphonic acid;2-methylpropanoic acid?
cyanophosphonic acid;2-methylpropanoic acid has a molecular weight of 195.11 g/mol, XLogP of 0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyanophosphonic acid;2-methylpropanoic acid is sourced from PubChem (CID 174906922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).