2-(2-hydroxyethylamino)ethyl phosphate

C4H10NO5P-2 — CID 20841714

IUPAC2-(2-hydroxyethylamino)ethyl phosphate
SMILESO=P([O-])([O-])OCCNCCO
InChIInChI=1S/C4H12NO5P/c6-3-1-5-2-4-10-11(7,8)9/h5-6H,1-4H2,(H2,7,8,9)/p-2
InChIKeyMKDOCSPHVLXLJA-UHFFFAOYSA-L
MW183.10 g/mol
LogP-2.59
Rot. Bonds6

About 2-(2-hydroxyethylamino)ethyl phosphate

2-(2-hydroxyethylamino)ethyl phosphate (PubChem CID 20841714) has the molecular formula C4H10NO5P-2 and a molecular weight of 183.10 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethyl phosphate.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethyl phosphate
PubChem CID20841714
Molecular FormulaC4H10NO5P-2
Molecular Weight183.10 g/mol
Exact Mass183.03
IUPAC Name2-(2-hydroxyethylamino)ethyl phosphate
SMILESO=P([O-])([O-])OCCNCCO
InChIInChI=1S/C4H12NO5P/c6-3-1-5-2-4-10-11(7,8)9/h5-6H,1-4H2,(H2,7,8,9)/p-2
InChIKeyMKDOCSPHVLXLJA-UHFFFAOYSA-L
XLogP-2.59
TPSA104.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.10
LogP ≤ 5-2.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-(2-hydroxyethylamino)ethyl phosphate?
The IUPAC name of 2-(2-hydroxyethylamino)ethyl phosphate (CID 20841714) is 2-(2-hydroxyethylamino)ethyl phosphate.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethyl phosphate?
The canonical SMILES for 2-(2-hydroxyethylamino)ethyl phosphate is O=P([O-])([O-])OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethyl phosphate?
The InChIKey is MKDOCSPHVLXLJA-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H12NO5P/c6-3-1-5-2-4-10-11(7,8)9/h5-6H,1-4H2,(H2,7,8,9)/p-2.
What are the key properties of 2-(2-hydroxyethylamino)ethyl phosphate?
2-(2-hydroxyethylamino)ethyl phosphate has a molecular weight of 183.10 g/mol, XLogP of -2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethyl phosphate is sourced from PubChem (CID 20841714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).