2-aminoethyl methyl phosphate

C3H9NO4P- — CID 59620632

IUPAC2-aminoethyl methyl phosphate
SMILESCOP(=O)([O-])OCCN
InChIInChI=1S/C3H10NO4P/c1-7-9(5,6)8-3-2-4/h2-4H2,1H3,(H,5,6)/p-1
InChIKeyRHZOTNIARPBHQF-UHFFFAOYSA-M
MW154.08 g/mol
LogP-0.92
Rot. Bonds4

About 2-aminoethyl methyl phosphate

2-aminoethyl methyl phosphate (PubChem CID 59620632) has the molecular formula C3H9NO4P- and a molecular weight of 154.08 g/mol. Its IUPAC name is 2-aminoethyl methyl phosphate.

Molecular Properties

Compound Name2-aminoethyl methyl phosphate
PubChem CID59620632
Molecular FormulaC3H9NO4P-
Molecular Weight154.08 g/mol
Exact Mass154.03
IUPAC Name2-aminoethyl methyl phosphate
SMILESCOP(=O)([O-])OCCN
InChIInChI=1S/C3H10NO4P/c1-7-9(5,6)8-3-2-4/h2-4H2,1H3,(H,5,6)/p-1
InChIKeyRHZOTNIARPBHQF-UHFFFAOYSA-M
XLogP-0.92
TPSA84.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.08
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

aminomethyl methyl phosphate
CID 123377325
2-bromoethyl methyl phosphate
CID 20702667
2-(diaminomethylideneazaniumyl)ethyl methyl phosphate
CID 25202957
heptyl methyl phosphate
CID 22497569
sodium ethyl methyl phosphate
CID 134607083
methyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine
CID 159899690
2-[dimethyl(propan-2-yl)azaniumyl]ethyl methyl phosphate
CID 153309185
heptyl methyl phosphate;1-methoxybutane
CID 160703471
sodium 2-dioxidophosphinothioyloxyethanamine
CID 22677084
phosphanium dimethyl phosphate
CID 118555188
barium(2+);bis(dimethyl phosphate)
CID 3835926
2-aminoethyl 2-methoxyethyl hydrogen phosphate
CID 59087649

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl methyl phosphate?
The IUPAC name of 2-aminoethyl methyl phosphate (CID 59620632) is 2-aminoethyl methyl phosphate.
What is the SMILES notation for 2-aminoethyl methyl phosphate?
The canonical SMILES for 2-aminoethyl methyl phosphate is COP(=O)([O-])OCCN.
What is the InChIKey of 2-aminoethyl methyl phosphate?
The InChIKey is RHZOTNIARPBHQF-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H10NO4P/c1-7-9(5,6)8-3-2-4/h2-4H2,1H3,(H,5,6)/p-1.
What are the key properties of 2-aminoethyl methyl phosphate?
2-aminoethyl methyl phosphate has a molecular weight of 154.08 g/mol, XLogP of -0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl methyl phosphate is sourced from PubChem (CID 59620632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).