3-(2-hydroxyethylamino)propyl dihydrogen phosphate

C5H14NO5P — CID 10655598

IUPAC3-(2-hydroxyethylamino)propyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCNCCO
InChIInChI=1S/C5H14NO5P/c7-4-3-6-2-1-5-11-12(8,9)10/h6-7H,1-5H2,(H2,8,9,10)
InChIKeySUGXWLCGBWNQFU-UHFFFAOYSA-N
MW199.14 g/mol
LogP-0.93
Rot. Bonds7

About 3-(2-hydroxyethylamino)propyl dihydrogen phosphate

3-(2-hydroxyethylamino)propyl dihydrogen phosphate (PubChem CID 10655598) has the molecular formula C5H14NO5P and a molecular weight of 199.14 g/mol. Its IUPAC name is 3-(2-hydroxyethylamino)propyl dihydrogen phosphate.

Molecular Properties

Compound Name3-(2-hydroxyethylamino)propyl dihydrogen phosphate
PubChem CID10655598
Molecular FormulaC5H14NO5P
Molecular Weight199.14 g/mol
Exact Mass199.06
IUPAC Name3-(2-hydroxyethylamino)propyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCNCCO
InChIInChI=1S/C5H14NO5P/c7-4-3-6-2-1-5-11-12(8,9)10/h6-7H,1-5H2,(H2,8,9,10)
InChIKeySUGXWLCGBWNQFU-UHFFFAOYSA-N
XLogP-0.93
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.14
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxypropyl dihydrogen phosphate;phosphoric acid
CID 139534091
hexadecyl dihydrogen phosphate;2-(2-hydroxyethylamino)ethanol;octadecanoic acid
CID 88516140
2-(3-aminopropylamino)ethyl dihydrogen phosphate
CID 54046186
12-hydroxydodecyl dihydrogen phosphate
CID 24830904
8-hydroxyoctyl dihydrogen phosphate
CID 87681858
2-(pentylamino)ethyl dihydrogen phosphate
CID 87921283
dioctyl hydrogen phosphate;2-(2-hydroxyethylamino)ethanol
CID 6453842
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
2-hydroxyethyl dihydrogen phosphate;phosphoric acid
CID 155226574
2-(2-aminoethylamino)ethanol;phosphoric acid
CID 88523857
2-(2-hydroxyethylamino)ethyl phosphate
CID 20841714

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylamino)propyl dihydrogen phosphate?
The IUPAC name of 3-(2-hydroxyethylamino)propyl dihydrogen phosphate (CID 10655598) is 3-(2-hydroxyethylamino)propyl dihydrogen phosphate.
What is the SMILES notation for 3-(2-hydroxyethylamino)propyl dihydrogen phosphate?
The canonical SMILES for 3-(2-hydroxyethylamino)propyl dihydrogen phosphate is O=P(O)(O)OCCCNCCO.
What is the InChIKey of 3-(2-hydroxyethylamino)propyl dihydrogen phosphate?
The InChIKey is SUGXWLCGBWNQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO5P/c7-4-3-6-2-1-5-11-12(8,9)10/h6-7H,1-5H2,(H2,8,9,10).
What are the key properties of 3-(2-hydroxyethylamino)propyl dihydrogen phosphate?
3-(2-hydroxyethylamino)propyl dihydrogen phosphate has a molecular weight of 199.14 g/mol, XLogP of -0.93, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylamino)propyl dihydrogen phosphate is sourced from PubChem (CID 10655598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).