[tris(1-hydroxyethyl)azaniumyl]formate

C7H15NO5 — CID 88821094

IUPAC[tris(1-hydroxyethyl)azaniumyl]formate
SMILESCC(O)[N+](C(=O)[O-])(C(C)O)C(C)O
InChIInChI=1S/C7H15NO5/c1-4(9)8(5(2)10,6(3)11)7(12)13/h4-6,9-11H,1-3H3
InChIKeyZHIBPMZBVFDKHH-UHFFFAOYSA-N
MW193.20 g/mol
LogP-1.84
Rot. Bonds3

About [tris(1-hydroxyethyl)azaniumyl]formate

[tris(1-hydroxyethyl)azaniumyl]formate (PubChem CID 88821094) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is [tris(1-hydroxyethyl)azaniumyl]formate.

Molecular Properties

Compound Name[tris(1-hydroxyethyl)azaniumyl]formate
PubChem CID88821094
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name[tris(1-hydroxyethyl)azaniumyl]formate
SMILESCC(O)[N+](C(=O)[O-])(C(C)O)C(C)O
InChIInChI=1S/C7H15NO5/c1-4(9)8(5(2)10,6(3)11)7(12)13/h4-6,9-11H,1-3H3
InChIKeyZHIBPMZBVFDKHH-UHFFFAOYSA-N
XLogP-1.84
TPSA100.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [tris(1-hydroxyethyl)azaniumyl]formate?
The IUPAC name of [tris(1-hydroxyethyl)azaniumyl]formate (CID 88821094) is [tris(1-hydroxyethyl)azaniumyl]formate.
What is the SMILES notation for [tris(1-hydroxyethyl)azaniumyl]formate?
The canonical SMILES for [tris(1-hydroxyethyl)azaniumyl]formate is CC(O)[N+](C(=O)[O-])(C(C)O)C(C)O.
What is the InChIKey of [tris(1-hydroxyethyl)azaniumyl]formate?
The InChIKey is ZHIBPMZBVFDKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO5/c1-4(9)8(5(2)10,6(3)11)7(12)13/h4-6,9-11H,1-3H3.
What are the key properties of [tris(1-hydroxyethyl)azaniumyl]formate?
[tris(1-hydroxyethyl)azaniumyl]formate has a molecular weight of 193.20 g/mol, XLogP of -1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [tris(1-hydroxyethyl)azaniumyl]formate is sourced from PubChem (CID 88821094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).