aminomethylphosphonic acid;hydrate

CH8NO4P — CID 172785575

IUPACaminomethylphosphonic acid;hydrate
SMILESNCP(=O)(O)O.O
InChIInChI=1S/CH6NO3P.H2O/c2-1-6(3,4)5;/h1-2H2,(H2,3,4,5);1H2
InChIKeyOVQKDYBCCOJCFM-UHFFFAOYSA-N
MW129.05 g/mol
LogP-1.74
Rot. Bonds1

About aminomethylphosphonic acid;hydrate

aminomethylphosphonic acid;hydrate (PubChem CID 172785575) has the molecular formula CH8NO4P and a molecular weight of 129.05 g/mol. Its IUPAC name is aminomethylphosphonic acid;hydrate.

Molecular Properties

Compound Nameaminomethylphosphonic acid;hydrate
PubChem CID172785575
Molecular FormulaCH8NO4P
Molecular Weight129.05 g/mol
Exact Mass129.02
IUPAC Nameaminomethylphosphonic acid;hydrate
SMILESNCP(=O)(O)O.O
InChIInChI=1S/CH6NO3P.H2O/c2-1-6(3,4)5;/h1-2H2,(H2,3,4,5);1H2
InChIKeyOVQKDYBCCOJCFM-UHFFFAOYSA-N
XLogP-1.74
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.05
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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aminomethylphosphonic acid;oxaldehydic acid
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[aminomethyl(phosphonomethoxy)phosphoryl]oxymethylphosphonic acid
CID 54475795
[azanyl(dideuterio)(113C)methyl]phosphonic acid
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aminomethyl(methyl)phosphinic acid;methylphosphonic acid
CID 158616080
azanide;bis(aminomethyl)phosphinic acid;zinc
CID 6394823
(2,3-diamino-1-phosphonopropyl)phosphonic acid;hydrate
CID 87392174
phosphoric acid;trihydrate
CID 18988970
phosphoric acid;hydrate
CID 22023151
phosphoric acid;octahydrate
CID 173160172

Frequently Asked Questions

What is the IUPAC name of aminomethylphosphonic acid;hydrate?
The IUPAC name of aminomethylphosphonic acid;hydrate (CID 172785575) is aminomethylphosphonic acid;hydrate.
What is the SMILES notation for aminomethylphosphonic acid;hydrate?
The canonical SMILES for aminomethylphosphonic acid;hydrate is NCP(=O)(O)O.O.
What is the InChIKey of aminomethylphosphonic acid;hydrate?
The InChIKey is OVQKDYBCCOJCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6NO3P.H2O/c2-1-6(3,4)5;/h1-2H2,(H2,3,4,5);1H2.
What are the key properties of aminomethylphosphonic acid;hydrate?
aminomethylphosphonic acid;hydrate has a molecular weight of 129.05 g/mol, XLogP of -1.74, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethylphosphonic acid;hydrate is sourced from PubChem (CID 172785575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).