phosphoric acid;2-(propoxyamino)ethanol

C5H16NO6P — CID 174665335

IUPACphosphoric acid;2-(propoxyamino)ethanol
SMILESCCCONCCO.O=P(O)(O)O
InChIInChI=1S/C5H13NO2.H3O4P/c1-2-5-8-6-3-4-7;1-5(2,3)4/h6-7H,2-5H2,1H3;(H3,1,2,3,4)
InChIKeyVHLFOHKRBRDMIU-UHFFFAOYSA-N
MW217.16 g/mol
LogP-1.02
Rot. Bonds5

About phosphoric acid;2-(propoxyamino)ethanol

phosphoric acid;2-(propoxyamino)ethanol (PubChem CID 174665335) has the molecular formula C5H16NO6P and a molecular weight of 217.16 g/mol. Its IUPAC name is phosphoric acid;2-(propoxyamino)ethanol.

Molecular Properties

Compound Namephosphoric acid;2-(propoxyamino)ethanol
PubChem CID174665335
Molecular FormulaC5H16NO6P
Molecular Weight217.16 g/mol
Exact Mass217.07
IUPAC Namephosphoric acid;2-(propoxyamino)ethanol
SMILESCCCONCCO.O=P(O)(O)O
InChIInChI=1S/C5H13NO2.H3O4P/c1-2-5-8-6-3-4-7;1-5(2,3)4/h6-7H,2-5H2,1H3;(H3,1,2,3,4)
InChIKeyVHLFOHKRBRDMIU-UHFFFAOYSA-N
XLogP-1.02
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.16
LogP ≤ 5-1.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethoxy)butan-2-ol;phosphoric acid
CID 175300111
phosphoric acid;tripropyl phosphite
CID 172682927
N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)oxy-2,2-dimethylbutanamide
CID 58881510
dioctyl hydrogen phosphate;2-(2-hydroxyethylamino)ethanol
CID 6453842
N-[3-(propylaminooxy)propyl]acetamide
CID 155215275
3-azido-N-propoxypropan-1-amine
CID 126625241
azane;1-decoxydecane;ethanol;phosphoric acid
CID 174485868
N-octadecoxypropan-1-amine
CID 18519352
ethane-1,2-diol;methane;1-propoxypropane
CID 19065615
[hydroxy(propoxy)phosphoryl]oxy-trimethylazanium
CID 154512469
2-amino-1-propoxyguanidine
CID 130609787
1-pentoxy-N-propoxymethanamine
CID 138714447

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;2-(propoxyamino)ethanol?
The IUPAC name of phosphoric acid;2-(propoxyamino)ethanol (CID 174665335) is phosphoric acid;2-(propoxyamino)ethanol.
What is the SMILES notation for phosphoric acid;2-(propoxyamino)ethanol?
The canonical SMILES for phosphoric acid;2-(propoxyamino)ethanol is CCCONCCO.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;2-(propoxyamino)ethanol?
The InChIKey is VHLFOHKRBRDMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.H3O4P/c1-2-5-8-6-3-4-7;1-5(2,3)4/h6-7H,2-5H2,1H3;(H3,1,2,3,4).
What are the key properties of phosphoric acid;2-(propoxyamino)ethanol?
phosphoric acid;2-(propoxyamino)ethanol has a molecular weight of 217.16 g/mol, XLogP of -1.02, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;2-(propoxyamino)ethanol is sourced from PubChem (CID 174665335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).