2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]acetic acid

C15H26N2O3 — CID 102899130

IUPAC2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C15H26N2O3/c18-14(19)12-17-9-7-16(8-10-17)11-13-3-6-15(20-13)4-1-2-5-15/h13H,1-12H2,(H,18,19)
InChIKeyCLPJZNGCVFVECS-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.18
Rot. Bonds4

About 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]acetic acid

2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]acetic acid (PubChem CID 102899130) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]acetic acid
PubChem CID102899130
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C15H26N2O3/c18-14(19)12-17-9-7-16(8-10-17)11-13-3-6-15(20-13)4-1-2-5-15/h13H,1-12H2,(H,18,19)
InChIKeyCLPJZNGCVFVECS-UHFFFAOYSA-N
XLogP1.18
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]acetic acid (CID 102899130) is 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]acetic acid is O=C(O)CN1CCN(CC2CCC3(CCCC3)O2)CC1.
What is the InChIKey of 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]acetic acid?
The InChIKey is CLPJZNGCVFVECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(19)12-17-9-7-16(8-10-17)11-13-3-6-15(20-13)4-1-2-5-15/h13H,1-12H2,(H,18,19).
What are the key properties of 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]acetic acid?
2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 102899130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).