2-(2,6-dioxaspiro[4.5]decan-9-ylamino)pentanoic acid

C13H23NO4 — CID 79894043

IUPAC2-(2,6-dioxaspiro[4.5]decan-9-ylamino)pentanoic acid
SMILESCCCC(NC1CCOC2(CCOC2)C1)C(=O)O
InChIInChI=1S/C13H23NO4/c1-2-3-11(12(15)16)14-10-4-6-18-13(8-10)5-7-17-9-13/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyJAGXLXHDWGBZPT-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.17
Rot. Bonds5

About 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)pentanoic acid

2-(2,6-dioxaspiro[4.5]decan-9-ylamino)pentanoic acid (PubChem CID 79894043) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)pentanoic acid.

Molecular Properties

Compound Name2-(2,6-dioxaspiro[4.5]decan-9-ylamino)pentanoic acid
PubChem CID79894043
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-(2,6-dioxaspiro[4.5]decan-9-ylamino)pentanoic acid
SMILESCCCC(NC1CCOC2(CCOC2)C1)C(=O)O
InChIInChI=1S/C13H23NO4/c1-2-3-11(12(15)16)14-10-4-6-18-13(8-10)5-7-17-9-13/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyJAGXLXHDWGBZPT-UHFFFAOYSA-N
XLogP1.17
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)pentanoic 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-(2,6-dioxaspiro[4.5]decan-9-ylamino)pentanoic acid?
The IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)pentanoic acid (CID 79894043) is 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)pentanoic acid.
What is the SMILES notation for 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)pentanoic acid?
The canonical SMILES for 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)pentanoic acid is CCCC(NC1CCOC2(CCOC2)C1)C(=O)O.
What is the InChIKey of 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)pentanoic acid?
The InChIKey is JAGXLXHDWGBZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-2-3-11(12(15)16)14-10-4-6-18-13(8-10)5-7-17-9-13/h10-11,14H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)pentanoic acid?
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)pentanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)pentanoic acid is sourced from PubChem (CID 79894043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).