2-(diaminomethylideneamino)ethoxy-methylphosphinic acid

C4H12N3O3P — CID 3327890

IUPAC2-(diaminomethylideneamino)ethoxy-methylphosphinic acid
SMILESCP(=O)(O)OCCN=C(N)N
InChIInChI=1S/C4H12N3O3P/c1-11(8,9)10-3-2-7-4(5)6/h2-3H2,1H3,(H,8,9)(H4,5,6,7)
InChIKeyFPNRGLSKRUHKFC-UHFFFAOYSA-N
MW181.13 g/mol
LogP-0.91
Rot. Bonds4

About 2-(diaminomethylideneamino)ethoxy-methylphosphinic acid

2-(diaminomethylideneamino)ethoxy-methylphosphinic acid (PubChem CID 3327890) has the molecular formula C4H12N3O3P and a molecular weight of 181.13 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)ethoxy-methylphosphinic acid.

Molecular Properties

Compound Name2-(diaminomethylideneamino)ethoxy-methylphosphinic acid
PubChem CID3327890
Molecular FormulaC4H12N3O3P
Molecular Weight181.13 g/mol
Exact Mass181.06
IUPAC Name2-(diaminomethylideneamino)ethoxy-methylphosphinic acid
SMILESCP(=O)(O)OCCN=C(N)N
InChIInChI=1S/C4H12N3O3P/c1-11(8,9)10-3-2-7-4(5)6/h2-3H2,1H3,(H,8,9)(H4,5,6,7)
InChIKeyFPNRGLSKRUHKFC-UHFFFAOYSA-N
XLogP-0.91
TPSA110.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diaminomethylideneamino)ethoxy-methylphosphinic acid?
The IUPAC name of 2-(diaminomethylideneamino)ethoxy-methylphosphinic acid (CID 3327890) is 2-(diaminomethylideneamino)ethoxy-methylphosphinic acid.
What is the SMILES notation for 2-(diaminomethylideneamino)ethoxy-methylphosphinic acid?
The canonical SMILES for 2-(diaminomethylideneamino)ethoxy-methylphosphinic acid is CP(=O)(O)OCCN=C(N)N.
What is the InChIKey of 2-(diaminomethylideneamino)ethoxy-methylphosphinic acid?
The InChIKey is FPNRGLSKRUHKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N3O3P/c1-11(8,9)10-3-2-7-4(5)6/h2-3H2,1H3,(H,8,9)(H4,5,6,7).
What are the key properties of 2-(diaminomethylideneamino)ethoxy-methylphosphinic acid?
2-(diaminomethylideneamino)ethoxy-methylphosphinic acid has a molecular weight of 181.13 g/mol, XLogP of -0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneamino)ethoxy-methylphosphinic acid is sourced from PubChem (CID 3327890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).