cyclopentanecarboxylate;tris(2-hydroxyethyl)azanium

C12H25NO5 — CID 158170706

IUPACcyclopentanecarboxylate;tris(2-hydroxyethyl)azanium
SMILESO=C([O-])C1CCCC1.OCC[NH+](CCO)CCO
InChIInChI=1S/C6H15NO3.C6H10O2/c8-4-1-7(2-5-9)3-6-10;7-6(8)5-3-1-2-4-5/h8-10H,1-6H2;5H,1-4H2,(H,7,8)
InChIKeyFXKKLQLWMUBYHD-UHFFFAOYSA-N
MW263.33 g/mol
LogP-3.23
Rot. Bonds7

About cyclopentanecarboxylate;tris(2-hydroxyethyl)azanium

cyclopentanecarboxylate;tris(2-hydroxyethyl)azanium (PubChem CID 158170706) has the molecular formula C12H25NO5 and a molecular weight of 263.33 g/mol. Its IUPAC name is cyclopentanecarboxylate;tris(2-hydroxyethyl)azanium.

Molecular Properties

Compound Namecyclopentanecarboxylate;tris(2-hydroxyethyl)azanium
PubChem CID158170706
Molecular FormulaC12H25NO5
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Namecyclopentanecarboxylate;tris(2-hydroxyethyl)azanium
SMILESO=C([O-])C1CCCC1.OCC[NH+](CCO)CCO
InChIInChI=1S/C6H15NO3.C6H10O2/c8-4-1-7(2-5-9)3-6-10;7-6(8)5-3-1-2-4-5/h8-10H,1-6H2;5H,1-4H2,(H,7,8)
InChIKeyFXKKLQLWMUBYHD-UHFFFAOYSA-N
XLogP-3.23
TPSA105.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 5-3.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentanecarboxylate;tris(2-hydroxyethyl)azanium?
The IUPAC name of cyclopentanecarboxylate;tris(2-hydroxyethyl)azanium (CID 158170706) is cyclopentanecarboxylate;tris(2-hydroxyethyl)azanium.
What is the SMILES notation for cyclopentanecarboxylate;tris(2-hydroxyethyl)azanium?
The canonical SMILES for cyclopentanecarboxylate;tris(2-hydroxyethyl)azanium is O=C([O-])C1CCCC1.OCC[NH+](CCO)CCO.
What is the InChIKey of cyclopentanecarboxylate;tris(2-hydroxyethyl)azanium?
The InChIKey is FXKKLQLWMUBYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C6H10O2/c8-4-1-7(2-5-9)3-6-10;7-6(8)5-3-1-2-4-5/h8-10H,1-6H2;5H,1-4H2,(H,7,8).
What are the key properties of cyclopentanecarboxylate;tris(2-hydroxyethyl)azanium?
cyclopentanecarboxylate;tris(2-hydroxyethyl)azanium has a molecular weight of 263.33 g/mol, XLogP of -3.23, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanecarboxylate;tris(2-hydroxyethyl)azanium is sourced from PubChem (CID 158170706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).