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

azane;2-methylpropanoic acid;hydrate
CID 161320294
cyanamide;2-methylpropanoic acid
CID 172748410
cyanophosphonic acid;silane
CID 175522157
2-methylpropanoic acid
CID 173073412
cerium;tris(2-methylpropanoic acid)
CID 153360547
alumane;2-methylpropanoic acid
CID 173068323
2-methylpropanoic acid;ruthenium
CID 88674751
methanol;2-methylpropanoic acid
CID 159214919
CID 161404788
CID 161404788
lithium;hydride;bis(2-methylpropanoic acid)
CID 175577602
azane;bis(2-hydroxypropanoic acid);dihydrate
CID 175182487
chromium;2-hydroxypropanoic acid;trihydrate
CID 173468651

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).