aminomethyl(hydroperoxy)phosphinic acid

CH6NO4P — CID 142766787

IUPACaminomethyl(hydroperoxy)phosphinic acid
SMILESNCP(=O)(O)OO
InChIInChI=1S/CH6NO4P/c2-1-7(4,5)6-3/h3H,1-2H2,(H,4,5)
InChIKeyJGCQBEVQFREPRH-UHFFFAOYSA-N
MW127.04 g/mol
LogP-0.42
Rot. Bonds2

About aminomethyl(hydroperoxy)phosphinic acid

aminomethyl(hydroperoxy)phosphinic acid (PubChem CID 142766787) has the molecular formula CH6NO4P and a molecular weight of 127.04 g/mol. Its IUPAC name is aminomethyl(hydroperoxy)phosphinic acid.

Molecular Properties

Compound Nameaminomethyl(hydroperoxy)phosphinic acid
PubChem CID142766787
Molecular FormulaCH6NO4P
Molecular Weight127.04 g/mol
Exact Mass127.00
IUPAC Nameaminomethyl(hydroperoxy)phosphinic acid
SMILESNCP(=O)(O)OO
InChIInChI=1S/CH6NO4P/c2-1-7(4,5)6-3/h3H,1-2H2,(H,4,5)
InChIKeyJGCQBEVQFREPRH-UHFFFAOYSA-N
XLogP-0.42
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.04
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethyl(hydroperoxy)phosphinic acid
CID 54175112
ethyl(hydroperoxy)phosphinic acid;rhenium
CID 174770512
aminomethylphosphonic acid;hydrate
CID 172785575
aminomethylphosphonic acid;azane
CID 173452353
aminomethyl(2,2,2-trifluoroethoxy)phosphinic acid
CID 15184680
aminomethyl(3-hydroxypropoxy)phosphinic acid
CID 154247476
hydroxy dihydrogen phosphate;vanadium
CID 173088443
azanide;bis(aminomethyl)phosphinic acid;zinc
CID 6394823
aminomethyl(methyl)phosphinic acid;methylphosphonic acid
CID 158616080
bis(butan-1-amine);hydroxy dihydrogen phosphate
CID 174682750
aminomethylphosphonic acid;butane-1,4-diamine
CID 159694397
calcium;hydride;hydroxy dihydrogen phosphate
CID 174606919

Frequently Asked Questions

What is the IUPAC name of aminomethyl(hydroperoxy)phosphinic acid?
The IUPAC name of aminomethyl(hydroperoxy)phosphinic acid (CID 142766787) is aminomethyl(hydroperoxy)phosphinic acid.
What is the SMILES notation for aminomethyl(hydroperoxy)phosphinic acid?
The canonical SMILES for aminomethyl(hydroperoxy)phosphinic acid is NCP(=O)(O)OO.
What is the InChIKey of aminomethyl(hydroperoxy)phosphinic acid?
The InChIKey is JGCQBEVQFREPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6NO4P/c2-1-7(4,5)6-3/h3H,1-2H2,(H,4,5).
What are the key properties of aminomethyl(hydroperoxy)phosphinic acid?
aminomethyl(hydroperoxy)phosphinic acid has a molecular weight of 127.04 g/mol, XLogP of -0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl(hydroperoxy)phosphinic acid is sourced from PubChem (CID 142766787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).