2-hydroxyethoxy-N-methylphosphonamidic acid

C3H10NO4P — CID 123741981

IUPAC2-hydroxyethoxy-N-methylphosphonamidic acid
SMILESCNP(=O)(O)OCCO
InChIInChI=1S/C3H10NO4P/c1-4-9(6,7)8-3-2-5/h5H,2-3H2,1H3,(H2,4,6,7)
InChIKeyCYFPMYIDXXSFMB-UHFFFAOYSA-N
MW155.09 g/mol
LogP-0.68
Rot. Bonds4

About 2-hydroxyethoxy-N-methylphosphonamidic acid

2-hydroxyethoxy-N-methylphosphonamidic acid (PubChem CID 123741981) has the molecular formula C3H10NO4P and a molecular weight of 155.09 g/mol. Its IUPAC name is 2-hydroxyethoxy-N-methylphosphonamidic acid.

Molecular Properties

Compound Name2-hydroxyethoxy-N-methylphosphonamidic acid
PubChem CID123741981
Molecular FormulaC3H10NO4P
Molecular Weight155.09 g/mol
Exact Mass155.03
IUPAC Name2-hydroxyethoxy-N-methylphosphonamidic acid
SMILESCNP(=O)(O)OCCO
InChIInChI=1S/C3H10NO4P/c1-4-9(6,7)8-3-2-5/h5H,2-3H2,1H3,(H2,4,6,7)
InChIKeyCYFPMYIDXXSFMB-UHFFFAOYSA-N
XLogP-0.68
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.09
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethoxy-N-methylphosphonamidic acid
CID 20842965
2-hydroxyethyl dihydrogen phosphate;phosphoric acid
CID 155226574
2-[hydroxy(2-hydroxyethoxy)phosphoryl]ethylphosphonic acid
CID 175439320
dicalcium;hydride;2-hydroxyethyl dihydrogen phosphate
CID 174231614
ethene;2-hydroxyethyl dihydrogen phosphate
CID 173023199
N-acetyl-propoxyphosphonamidic acid
CID 146414969
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;methylphosphonic acid
CID 175378176
azane;hexadecyl 2-hydroxyethyl hydrogen phosphate
CID 173341052
2-[tert-butyl(2-hydroxyethyl)phosphoryl]oxyethanol
CID 88881831
dichloronickel;2-hydroxyethyl dihydrogen phosphate;trichloroyttrium
CID 174854669
2-hydroxyethyl ditridecyl phosphate
CID 86141691
N-[2-hydroxyethoxy(methoxy)phosphoryl]propanamide
CID 169488837

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethoxy-N-methylphosphonamidic acid?
The IUPAC name of 2-hydroxyethoxy-N-methylphosphonamidic acid (CID 123741981) is 2-hydroxyethoxy-N-methylphosphonamidic acid.
What is the SMILES notation for 2-hydroxyethoxy-N-methylphosphonamidic acid?
The canonical SMILES for 2-hydroxyethoxy-N-methylphosphonamidic acid is CNP(=O)(O)OCCO.
What is the InChIKey of 2-hydroxyethoxy-N-methylphosphonamidic acid?
The InChIKey is CYFPMYIDXXSFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NO4P/c1-4-9(6,7)8-3-2-5/h5H,2-3H2,1H3,(H2,4,6,7).
What are the key properties of 2-hydroxyethoxy-N-methylphosphonamidic acid?
2-hydroxyethoxy-N-methylphosphonamidic acid has a molecular weight of 155.09 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethoxy-N-methylphosphonamidic acid is sourced from PubChem (CID 123741981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).