3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid

C16H27NO3 — CID 79894201

IUPAC3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C1CCOC2(CCC2)C1
InChIInChI=1S/C16H27NO3/c18-15(19)6-5-13-4-1-2-10-17(13)14-7-11-20-16(12-14)8-3-9-16/h13-14H,1-12H2,(H,18,19)
InChIKeyISZQDLGHLHIPPX-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.81
Rot. Bonds4

About 3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid

3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid (PubChem CID 79894201) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid
PubChem CID79894201
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C1CCOC2(CCC2)C1
InChIInChI=1S/C16H27NO3/c18-15(19)6-5-13-4-1-2-10-17(13)14-7-11-20-16(12-14)8-3-9-16/h13-14H,1-12H2,(H,18,19)
InChIKeyISZQDLGHLHIPPX-UHFFFAOYSA-N
XLogP2.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]ethanamine
CID 79902510
methyl 2-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]acetate
CID 79919281
[1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol
CID 116637254
3-(1-cycloheptylpiperidin-2-yl)propanoic acid
CID 65062233
3-[1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-1-ol
CID 79919663
1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid
CID 79893963
3-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 79919417
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanol
CID 79920339
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920119
3-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propanoic acid
CID 64730669
1-(1,9-dioxaspiro[5.5]undecan-4-yl)azepane-2-carboxylic acid
CID 79901428
1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid
CID 79894727

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid (CID 79894201) is 3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C1CCOC2(CCC2)C1.
What is the InChIKey of 3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid?
The InChIKey is ISZQDLGHLHIPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c18-15(19)6-5-13-4-1-2-10-17(13)14-7-11-20-16(12-14)8-3-9-16/h13-14H,1-12H2,(H,18,19).
What are the key properties of 3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid?
3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid has a molecular weight of 281.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 79894201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).