aminomethylphosphonic acid;oxaldehydic acid

C3H8NO6P — CID 19801371

IUPACaminomethylphosphonic acid;oxaldehydic acid
SMILESNCP(=O)(O)O.O=CC(=O)O
InChIInChI=1S/C2H2O3.CH6NO3P/c3-1-2(4)5;2-1-6(3,4)5/h1H,(H,4,5);1-2H2,(H2,3,4,5)
InChIKeyOZZZWMYVGXXIMQ-UHFFFAOYSA-N
MW185.07 g/mol
LogP-1.65
Rot. Bonds2

About aminomethylphosphonic acid;oxaldehydic acid

aminomethylphosphonic acid;oxaldehydic acid (PubChem CID 19801371) has the molecular formula C3H8NO6P and a molecular weight of 185.07 g/mol. Its IUPAC name is aminomethylphosphonic acid;oxaldehydic acid.

Molecular Properties

Compound Nameaminomethylphosphonic acid;oxaldehydic acid
PubChem CID19801371
Molecular FormulaC3H8NO6P
Molecular Weight185.07 g/mol
Exact Mass185.01
IUPAC Nameaminomethylphosphonic acid;oxaldehydic acid
SMILESNCP(=O)(O)O.O=CC(=O)O
InChIInChI=1S/C2H2O3.CH6NO3P/c3-1-2(4)5;2-1-6(3,4)5/h1H,(H,4,5);1-2H2,(H2,3,4,5)
InChIKeyOZZZWMYVGXXIMQ-UHFFFAOYSA-N
XLogP-1.65
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.07
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

oxaldehydic acid;phosphoric acid
CID 161389522
aminomethylphosphonic acid;azane
CID 173452353
aminomethylphosphonic acid;hydrate
CID 172785575
aminomethylphosphonic acid;butane-1,4-diamine
CID 159694397
CID 172736790
CID 172736790
aminomethylphosphonic acid;methanesulfonic acid
CID 173452453
2-aminoacetic acid;oxaldehydic acid;2-oxopropanoic acid;hydrate
CID 174318799
alumane;oxaldehydic acid;zirconium;tetrahydrochloride
CID 175537176
2-aminoethylphosphonic acid;oxalic acid
CID 87621016
2,3-dihydroxybutanedioic acid;oxaldehydic acid
CID 163565865
2-phosphonoacetic acid;prop-2-enoic acid
CID 175306735
acetamide;phosphonomethylphosphonic acid
CID 19382971

Frequently Asked Questions

What is the IUPAC name of aminomethylphosphonic acid;oxaldehydic acid?
The IUPAC name of aminomethylphosphonic acid;oxaldehydic acid (CID 19801371) is aminomethylphosphonic acid;oxaldehydic acid.
What is the SMILES notation for aminomethylphosphonic acid;oxaldehydic acid?
The canonical SMILES for aminomethylphosphonic acid;oxaldehydic acid is NCP(=O)(O)O.O=CC(=O)O.
What is the InChIKey of aminomethylphosphonic acid;oxaldehydic acid?
The InChIKey is OZZZWMYVGXXIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O3.CH6NO3P/c3-1-2(4)5;2-1-6(3,4)5/h1H,(H,4,5);1-2H2,(H2,3,4,5).
What are the key properties of aminomethylphosphonic acid;oxaldehydic acid?
aminomethylphosphonic acid;oxaldehydic acid has a molecular weight of 185.07 g/mol, XLogP of -1.65, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethylphosphonic acid;oxaldehydic acid is sourced from PubChem (CID 19801371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).