amino bis(2-aminoethyl) phosphate

C4H14N3O4P — CID 175047381

IUPACamino bis(2-aminoethyl) phosphate
SMILESNCCOP(=O)(ON)OCCN
InChIInChI=1S/C4H14N3O4P/c5-1-3-9-12(8,11-7)10-4-2-6/h1-7H2
InChIKeyBNMROQIVJHTMDX-UHFFFAOYSA-N
MW199.15 g/mol
LogP-1.06
Rot. Bonds7

About amino bis(2-aminoethyl) phosphate

amino bis(2-aminoethyl) phosphate (PubChem CID 175047381) has the molecular formula C4H14N3O4P and a molecular weight of 199.15 g/mol. Its IUPAC name is amino bis(2-aminoethyl) phosphate.

Molecular Properties

Compound Nameamino bis(2-aminoethyl) phosphate
PubChem CID175047381
Molecular FormulaC4H14N3O4P
Molecular Weight199.15 g/mol
Exact Mass199.07
IUPAC Nameamino bis(2-aminoethyl) phosphate
SMILESNCCOP(=O)(ON)OCCN
InChIInChI=1S/C4H14N3O4P/c5-1-3-9-12(8,11-7)10-4-2-6/h1-7H2
InChIKeyBNMROQIVJHTMDX-UHFFFAOYSA-N
XLogP-1.06
TPSA122.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.15
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino bis(2-aminoethyl) phosphate?
The IUPAC name of amino bis(2-aminoethyl) phosphate (CID 175047381) is amino bis(2-aminoethyl) phosphate.
What is the SMILES notation for amino bis(2-aminoethyl) phosphate?
The canonical SMILES for amino bis(2-aminoethyl) phosphate is NCCOP(=O)(ON)OCCN.
What is the InChIKey of amino bis(2-aminoethyl) phosphate?
The InChIKey is BNMROQIVJHTMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14N3O4P/c5-1-3-9-12(8,11-7)10-4-2-6/h1-7H2.
What are the key properties of amino bis(2-aminoethyl) phosphate?
amino bis(2-aminoethyl) phosphate has a molecular weight of 199.15 g/mol, XLogP of -1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for amino bis(2-aminoethyl) phosphate is sourced from PubChem (CID 175047381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).