2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid

C13H23NO3 — CID 79894587

IUPAC2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H23NO3/c1-2-7-14(10-12(15)16)11-4-8-17-13(9-11)5-3-6-13/h11H,2-10H2,1H3,(H,15,16)
InChIKeyXBWSWDBEAYCGHS-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.88
Rot. Bonds5

About 2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid

2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid (PubChem CID 79894587) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid
PubChem CID79894587
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H23NO3/c1-2-7-14(10-12(15)16)11-4-8-17-13(9-11)5-3-6-13/h11H,2-10H2,1H3,(H,15,16)
InChIKeyXBWSWDBEAYCGHS-UHFFFAOYSA-N
XLogP1.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79893758
2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 79894522
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]ethanol
CID 79919770
2-[cyclopropylmethyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894349
2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79894267
2-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]acetic acid
CID 79894049
2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]ethanol
CID 79919654
2-[(2-amino-2-oxoethyl)-(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 107440798
2-[1,4-dioxaspiro[4.5]decan-8-yl(propyl)amino]acetic acid
CID 65064834
2-[(3,3-dimethylcyclopentyl)-propylamino]acetic acid
CID 80699036
2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]acetonitrile
CID 79903017
2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894511

Frequently Asked Questions

What is the IUPAC name of 2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid?
The IUPAC name of 2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid (CID 79894587) is 2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid?
The canonical SMILES for 2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid is CCCN(CC(=O)O)C1CCOC2(CCC2)C1.
What is the InChIKey of 2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid?
The InChIKey is XBWSWDBEAYCGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-7-14(10-12(15)16)11-4-8-17-13(9-11)5-3-6-13/h11H,2-10H2,1H3,(H,15,16).
What are the key properties of 2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid?
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid has a molecular weight of 241.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid is sourced from PubChem (CID 79894587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).