acetamide;phosphonomethylphosphonic acid

C3H11NO7P2 — CID 19382971

IUPACacetamide;phosphonomethylphosphonic acid
SMILESCC(N)=O.O=P(O)(O)CP(=O)(O)O
InChIInChI=1S/C2H5NO.CH6O6P2/c1-2(3)4;2-8(3,4)1-9(5,6)7/h1H3,(H2,3,4);1H2,(H2,2,3,4)(H2,5,6,7)
InChIKeyHNHKPJXKFYLBSV-UHFFFAOYSA-N
MW235.07 g/mol
LogP-1.21
Rot. Bonds2

About acetamide;phosphonomethylphosphonic acid

acetamide;phosphonomethylphosphonic acid (PubChem CID 19382971) has the molecular formula C3H11NO7P2 and a molecular weight of 235.07 g/mol. Its IUPAC name is acetamide;phosphonomethylphosphonic acid.

Molecular Properties

Compound Nameacetamide;phosphonomethylphosphonic acid
PubChem CID19382971
Molecular FormulaC3H11NO7P2
Molecular Weight235.07 g/mol
Exact Mass235.00
IUPAC Nameacetamide;phosphonomethylphosphonic acid
SMILESCC(N)=O.O=P(O)(O)CP(=O)(O)O
InChIInChI=1S/C2H5NO.CH6O6P2/c1-2(3)4;2-8(3,4)1-9(5,6)7/h1H3,(H2,3,4);1H2,(H2,2,3,4)(H2,5,6,7)
InChIKeyHNHKPJXKFYLBSV-UHFFFAOYSA-N
XLogP-1.21
TPSA158.15 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 5-1.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 162139470
CID 162139470
phosphonomethylphosphonic acid;phosphoric acid
CID 174390883
azane;phosphonomethylphosphonic acid
CID 18674565
acetamide
CID 139024037
phosphonatomethylphosphonic acid
CID 136758999
pentane-1,5-diamine;phosphonomethylphosphonic acid
CID 20502841
acetamide;alumane
CID 174673000
acetamide;titanium
CID 159756610
acetamide;bismuthane
CID 174469104
acetamide;rhodium(2+)
CID 159449063
ethylphosphonic acid;phosphoric acid
CID 87124135
ethylphosphonic acid;zirconium
CID 161117919

Frequently Asked Questions

What is the IUPAC name of acetamide;phosphonomethylphosphonic acid?
The IUPAC name of acetamide;phosphonomethylphosphonic acid (CID 19382971) is acetamide;phosphonomethylphosphonic acid.
What is the SMILES notation for acetamide;phosphonomethylphosphonic acid?
The canonical SMILES for acetamide;phosphonomethylphosphonic acid is CC(N)=O.O=P(O)(O)CP(=O)(O)O.
What is the InChIKey of acetamide;phosphonomethylphosphonic acid?
The InChIKey is HNHKPJXKFYLBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO.CH6O6P2/c1-2(3)4;2-8(3,4)1-9(5,6)7/h1H3,(H2,3,4);1H2,(H2,2,3,4)(H2,5,6,7).
What are the key properties of acetamide;phosphonomethylphosphonic acid?
acetamide;phosphonomethylphosphonic acid has a molecular weight of 235.07 g/mol, XLogP of -1.21, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;phosphonomethylphosphonic acid is sourced from PubChem (CID 19382971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).