[ethyl(prop-2-enyl)amino]methylphosphonic acid

C6H14NO3P — CID 59560504

IUPAC[ethyl(prop-2-enyl)amino]methylphosphonic acid
SMILESC=CCN(CC)CP(=O)(O)O
InChIInChI=1S/C6H14NO3P/c1-3-5-7(4-2)6-11(8,9)10/h3H,1,4-6H2,2H3,(H2,8,9,10)
InChIKeyFEPFJXRATOHKRU-UHFFFAOYSA-N
MW179.16 g/mol
LogP0.63
Rot. Bonds5

About [ethyl(prop-2-enyl)amino]methylphosphonic acid

[ethyl(prop-2-enyl)amino]methylphosphonic acid (PubChem CID 59560504) has the molecular formula C6H14NO3P and a molecular weight of 179.16 g/mol. Its IUPAC name is [ethyl(prop-2-enyl)amino]methylphosphonic acid.

Molecular Properties

Compound Name[ethyl(prop-2-enyl)amino]methylphosphonic acid
PubChem CID59560504
Molecular FormulaC6H14NO3P
Molecular Weight179.16 g/mol
Exact Mass179.07
IUPAC Name[ethyl(prop-2-enyl)amino]methylphosphonic acid
SMILESC=CCN(CC)CP(=O)(O)O
InChIInChI=1S/C6H14NO3P/c1-3-5-7(4-2)6-11(8,9)10/h3H,1,4-6H2,2H3,(H2,8,9,10)
InChIKeyFEPFJXRATOHKRU-UHFFFAOYSA-N
XLogP0.63
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.16
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [ethyl(prop-2-enyl)amino]methylphosphonic acid?
The IUPAC name of [ethyl(prop-2-enyl)amino]methylphosphonic acid (CID 59560504) is [ethyl(prop-2-enyl)amino]methylphosphonic acid.
What is the SMILES notation for [ethyl(prop-2-enyl)amino]methylphosphonic acid?
The canonical SMILES for [ethyl(prop-2-enyl)amino]methylphosphonic acid is C=CCN(CC)CP(=O)(O)O.
What is the InChIKey of [ethyl(prop-2-enyl)amino]methylphosphonic acid?
The InChIKey is FEPFJXRATOHKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO3P/c1-3-5-7(4-2)6-11(8,9)10/h3H,1,4-6H2,2H3,(H2,8,9,10).
What are the key properties of [ethyl(prop-2-enyl)amino]methylphosphonic acid?
[ethyl(prop-2-enyl)amino]methylphosphonic acid has a molecular weight of 179.16 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(prop-2-enyl)amino]methylphosphonic acid is sourced from PubChem (CID 59560504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).