methylaminomethylphosphonous acid

C2H8NO2P — CID 89469090

IUPACmethylaminomethylphosphonous acid
SMILESCNCP(O)O
InChIInChI=1S/C2H8NO2P/c1-3-2-6(4)5/h3-5H,2H2,1H3
InChIKeyQLKSAMCZWXBAKS-UHFFFAOYSA-N
MW109.06 g/mol
LogP-0.54
Rot. Bonds2

About methylaminomethylphosphonous acid

methylaminomethylphosphonous acid (PubChem CID 89469090) has the molecular formula C2H8NO2P and a molecular weight of 109.06 g/mol. Its IUPAC name is methylaminomethylphosphonous acid.

Molecular Properties

Compound Namemethylaminomethylphosphonous acid
PubChem CID89469090
Molecular FormulaC2H8NO2P
Molecular Weight109.06 g/mol
Exact Mass109.03
IUPAC Namemethylaminomethylphosphonous acid
SMILESCNCP(O)O
InChIInChI=1S/C2H8NO2P/c1-3-2-6(4)5/h3-5H,2H2,1H3
InChIKeyQLKSAMCZWXBAKS-UHFFFAOYSA-N
XLogP-0.54
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.06
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylaminomethylphosphonous acid?
The IUPAC name of methylaminomethylphosphonous acid (CID 89469090) is methylaminomethylphosphonous acid.
What is the SMILES notation for methylaminomethylphosphonous acid?
The canonical SMILES for methylaminomethylphosphonous acid is CNCP(O)O.
What is the InChIKey of methylaminomethylphosphonous acid?
The InChIKey is QLKSAMCZWXBAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8NO2P/c1-3-2-6(4)5/h3-5H,2H2,1H3.
What are the key properties of methylaminomethylphosphonous acid?
methylaminomethylphosphonous acid has a molecular weight of 109.06 g/mol, XLogP of -0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylaminomethylphosphonous acid is sourced from PubChem (CID 89469090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).