2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid

C14H24N2O4 — CID 79894117

IUPAC2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C2CCOC3(CCOC3)C2)CC1
InChIInChI=1S/C14H24N2O4/c17-13(18)10-15-3-5-16(6-4-15)12-1-7-20-14(9-12)2-8-19-11-14/h12H,1-11H2,(H,17,18)
InChIKeyAJMFQUUNFGYUIH-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.03
Rot. Bonds3

About 2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid

2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid (PubChem CID 79894117) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid
PubChem CID79894117
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C2CCOC3(CCOC3)C2)CC1
InChIInChI=1S/C14H24N2O4/c17-13(18)10-15-3-5-16(6-4-15)12-1-7-20-14(9-12)2-8-19-11-14/h12H,1-11H2,(H,17,18)
InChIKeyAJMFQUUNFGYUIH-UHFFFAOYSA-N
XLogP0.03
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid (CID 79894117) is 2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid is O=C(O)CN1CCN(C2CCOC3(CCOC3)C2)CC1.
What is the InChIKey of 2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid?
The InChIKey is AJMFQUUNFGYUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c17-13(18)10-15-3-5-16(6-4-15)12-1-7-20-14(9-12)2-8-19-11-14/h12H,1-11H2,(H,17,18).
What are the key properties of 2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid?
2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid has a molecular weight of 284.36 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 79894117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).