2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]acetic acid

C13H23NO5 — CID 79893897

IUPAC2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H23NO5/c1-17-7-4-14(9-12(15)16)11-2-5-19-13(8-11)3-6-18-10-13/h11H,2-10H2,1H3,(H,15,16)
InChIKeyHNKNOTCCQIXDJN-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.36
Rot. Bonds6

About 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]acetic acid

2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]acetic acid (PubChem CID 79893897) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]acetic acid
PubChem CID79893897
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H23NO5/c1-17-7-4-14(9-12(15)16)11-2-5-19-13(8-11)3-6-18-10-13/h11H,2-10H2,1H3,(H,15,16)
InChIKeyHNKNOTCCQIXDJN-UHFFFAOYSA-N
XLogP0.36
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]acetic acid (CID 79893897) is 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]acetic acid?
The InChIKey is HNKNOTCCQIXDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-17-7-4-14(9-12(15)16)11-2-5-19-13(8-11)3-6-18-10-13/h11H,2-10H2,1H3,(H,15,16).
What are the key properties of 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]acetic acid?
2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]acetic acid has a molecular weight of 273.33 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79893897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).