cyclopropyloxy-N-[2-(methylamino)ethyl]phosphonamidic acid

C6H15N2O3P — CID 166978030

IUPACcyclopropyloxy-N-[2-(methylamino)ethyl]phosphonamidic acid
SMILESCNCCNP(=O)(O)OC1CC1
InChIInChI=1S/C6H15N2O3P/c1-7-4-5-8-12(9,10)11-6-2-3-6/h6-7H,2-5H2,1H3,(H2,8,9,10)
InChIKeyJWJAACNWZILWIN-UHFFFAOYSA-N
MW194.17 g/mol
LogP0.07
Rot. Bonds6

About cyclopropyloxy-N-[2-(methylamino)ethyl]phosphonamidic acid

cyclopropyloxy-N-[2-(methylamino)ethyl]phosphonamidic acid (PubChem CID 166978030) has the molecular formula C6H15N2O3P and a molecular weight of 194.17 g/mol. Its IUPAC name is cyclopropyloxy-N-[2-(methylamino)ethyl]phosphonamidic acid.

Molecular Properties

Compound Namecyclopropyloxy-N-[2-(methylamino)ethyl]phosphonamidic acid
PubChem CID166978030
Molecular FormulaC6H15N2O3P
Molecular Weight194.17 g/mol
Exact Mass194.08
IUPAC Namecyclopropyloxy-N-[2-(methylamino)ethyl]phosphonamidic acid
SMILESCNCCNP(=O)(O)OC1CC1
InChIInChI=1S/C6H15N2O3P/c1-7-4-5-8-12(9,10)11-6-2-3-6/h6-7H,2-5H2,1H3,(H2,8,9,10)
InChIKeyJWJAACNWZILWIN-UHFFFAOYSA-N
XLogP0.07
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropyloxy-N-[2-(methylamino)ethyl]phosphonamidic acid?
The IUPAC name of cyclopropyloxy-N-[2-(methylamino)ethyl]phosphonamidic acid (CID 166978030) is cyclopropyloxy-N-[2-(methylamino)ethyl]phosphonamidic acid.
What is the SMILES notation for cyclopropyloxy-N-[2-(methylamino)ethyl]phosphonamidic acid?
The canonical SMILES for cyclopropyloxy-N-[2-(methylamino)ethyl]phosphonamidic acid is CNCCNP(=O)(O)OC1CC1.
What is the InChIKey of cyclopropyloxy-N-[2-(methylamino)ethyl]phosphonamidic acid?
The InChIKey is JWJAACNWZILWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N2O3P/c1-7-4-5-8-12(9,10)11-6-2-3-6/h6-7H,2-5H2,1H3,(H2,8,9,10).
What are the key properties of cyclopropyloxy-N-[2-(methylamino)ethyl]phosphonamidic acid?
cyclopropyloxy-N-[2-(methylamino)ethyl]phosphonamidic acid has a molecular weight of 194.17 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyloxy-N-[2-(methylamino)ethyl]phosphonamidic acid is sourced from PubChem (CID 166978030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).