methylaminomethyl phosphate

C2H6NO4P-2 — CID 23592392

IUPACmethylaminomethyl phosphate
SMILESCNCOP(=O)([O-])[O-]
InChIInChI=1S/C2H8NO4P/c1-3-2-7-8(4,5)6/h3H,2H2,1H3,(H2,4,5,6)/p-2
InChIKeyXJYFIWUVCBLBNK-UHFFFAOYSA-L
MW139.05 g/mol
LogP-1.99
Rot. Bonds3

About methylaminomethyl phosphate

methylaminomethyl phosphate (PubChem CID 23592392) has the molecular formula C2H6NO4P-2 and a molecular weight of 139.05 g/mol. Its IUPAC name is methylaminomethyl phosphate.

Molecular Properties

Compound Namemethylaminomethyl phosphate
PubChem CID23592392
Molecular FormulaC2H6NO4P-2
Molecular Weight139.05 g/mol
Exact Mass139.00
IUPAC Namemethylaminomethyl phosphate
SMILESCNCOP(=O)([O-])[O-]
InChIInChI=1S/C2H8NO4P/c1-3-2-7-8(4,5)6/h3H,2H2,1H3,(H2,4,5,6)/p-2
InChIKeyXJYFIWUVCBLBNK-UHFFFAOYSA-L
XLogP-1.99
TPSA84.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.05
LogP ≤ 5-1.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylaminomethyl phosphate?
The IUPAC name of methylaminomethyl phosphate (CID 23592392) is methylaminomethyl phosphate.
What is the SMILES notation for methylaminomethyl phosphate?
The canonical SMILES for methylaminomethyl phosphate is CNCOP(=O)([O-])[O-].
What is the InChIKey of methylaminomethyl phosphate?
The InChIKey is XJYFIWUVCBLBNK-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H8NO4P/c1-3-2-7-8(4,5)6/h3H,2H2,1H3,(H2,4,5,6)/p-2.
What are the key properties of methylaminomethyl phosphate?
methylaminomethyl phosphate has a molecular weight of 139.05 g/mol, XLogP of -1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methylaminomethyl phosphate is sourced from PubChem (CID 23592392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).