aminomethyl methyl phosphate

C2H7NO4P- — CID 123377325

IUPACaminomethyl methyl phosphate
SMILESCOP(=O)([O-])OCN
InChIInChI=1S/C2H8NO4P/c1-6-8(4,5)7-2-3/h2-3H2,1H3,(H,4,5)/p-1
InChIKeyIMVGPAUJAOGEQA-UHFFFAOYSA-M
MW140.06 g/mol
LogP-0.97
Rot. Bonds3

About aminomethyl methyl phosphate

aminomethyl methyl phosphate (PubChem CID 123377325) has the molecular formula C2H7NO4P- and a molecular weight of 140.06 g/mol. Its IUPAC name is aminomethyl methyl phosphate.

Molecular Properties

Compound Nameaminomethyl methyl phosphate
PubChem CID123377325
Molecular FormulaC2H7NO4P-
Molecular Weight140.06 g/mol
Exact Mass140.01
IUPAC Nameaminomethyl methyl phosphate
SMILESCOP(=O)([O-])OCN
InChIInChI=1S/C2H8NO4P/c1-6-8(4,5)7-2-3/h2-3H2,1H3,(H,4,5)/p-1
InChIKeyIMVGPAUJAOGEQA-UHFFFAOYSA-M
XLogP-0.97
TPSA84.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.06
LogP ≤ 5-0.97
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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Related Compounds

2-aminoethyl methyl phosphate
CID 59620632
sodium ethyl methyl phosphate
CID 134607083
2-bromoethyl methyl phosphate
CID 20702667
phosphanium dimethyl phosphate
CID 118555188
barium(2+);bis(dimethyl phosphate)
CID 3835926
[aminomethyl(methoxy)phosphoryl]oxymethanamine
CID 174733426
2-(diaminomethylideneazaniumyl)ethyl methyl phosphate
CID 25202957
ethyl methyl phosphate;ethyl sulfite;methane
CID 158276918
heptyl methyl phosphate
CID 22497569
methyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine
CID 159899690
1-(diaminomethylideneamino)ethyl methyl phosphate
CID 21145072
heptyl methyl phosphate;1-methoxybutane
CID 160703471

Frequently Asked Questions

What is the IUPAC name of aminomethyl methyl phosphate?
The IUPAC name of aminomethyl methyl phosphate (CID 123377325) is aminomethyl methyl phosphate.
What is the SMILES notation for aminomethyl methyl phosphate?
The canonical SMILES for aminomethyl methyl phosphate is COP(=O)([O-])OCN.
What is the InChIKey of aminomethyl methyl phosphate?
The InChIKey is IMVGPAUJAOGEQA-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H8NO4P/c1-6-8(4,5)7-2-3/h2-3H2,1H3,(H,4,5)/p-1.
What are the key properties of aminomethyl methyl phosphate?
aminomethyl methyl phosphate has a molecular weight of 140.06 g/mol, XLogP of -0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl methyl phosphate is sourced from PubChem (CID 123377325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).