2-[1,4-dioxaspiro[4.5]decan-8-yl(propyl)amino]acetic acid

C13H23NO4 — CID 65064834

IUPAC2-[1,4-dioxaspiro[4.5]decan-8-yl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C1CCC2(CC1)OCCO2
InChIInChI=1S/C13H23NO4/c1-2-7-14(10-12(15)16)11-3-5-13(6-4-11)17-8-9-18-13/h11H,2-10H2,1H3,(H,15,16)
InChIKeySDZRWECIAGJUHR-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.47
Rot. Bonds5

About 2-[1,4-dioxaspiro[4.5]decan-8-yl(propyl)amino]acetic acid

2-[1,4-dioxaspiro[4.5]decan-8-yl(propyl)amino]acetic acid (PubChem CID 65064834) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[1,4-dioxaspiro[4.5]decan-8-yl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,4-dioxaspiro[4.5]decan-8-yl(propyl)amino]acetic acid
PubChem CID65064834
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-[1,4-dioxaspiro[4.5]decan-8-yl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C1CCC2(CC1)OCCO2
InChIInChI=1S/C13H23NO4/c1-2-7-14(10-12(15)16)11-3-5-13(6-4-11)17-8-9-18-13/h11H,2-10H2,1H3,(H,15,16)
InChIKeySDZRWECIAGJUHR-UHFFFAOYSA-N
XLogP1.47
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1,4-dioxaspiro[4.5]decan-8-yl(propyl)amino]acetic acid?
The IUPAC name of 2-[1,4-dioxaspiro[4.5]decan-8-yl(propyl)amino]acetic acid (CID 65064834) is 2-[1,4-dioxaspiro[4.5]decan-8-yl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[1,4-dioxaspiro[4.5]decan-8-yl(propyl)amino]acetic acid?
The canonical SMILES for 2-[1,4-dioxaspiro[4.5]decan-8-yl(propyl)amino]acetic acid is CCCN(CC(=O)O)C1CCC2(CC1)OCCO2.
What is the InChIKey of 2-[1,4-dioxaspiro[4.5]decan-8-yl(propyl)amino]acetic acid?
The InChIKey is SDZRWECIAGJUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-2-7-14(10-12(15)16)11-3-5-13(6-4-11)17-8-9-18-13/h11H,2-10H2,1H3,(H,15,16).
What are the key properties of 2-[1,4-dioxaspiro[4.5]decan-8-yl(propyl)amino]acetic acid?
2-[1,4-dioxaspiro[4.5]decan-8-yl(propyl)amino]acetic acid has a molecular weight of 257.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,4-dioxaspiro[4.5]decan-8-yl(propyl)amino]acetic acid is sourced from PubChem (CID 65064834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).