3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]propanoic acid

C17H29NO3 — CID 102899176

IUPAC3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C17H29NO3/c19-16(20)7-6-14-5-1-4-12-18(14)13-15-8-11-17(21-15)9-2-3-10-17/h14-15H,1-13H2,(H,19,20)
InChIKeyMYPNYISGXXLLFZ-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.20
Rot. Bonds5

About 3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]propanoic acid

3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]propanoic acid (PubChem CID 102899176) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]propanoic acid
PubChem CID102899176
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C17H29NO3/c19-16(20)7-6-14-5-1-4-12-18(14)13-15-8-11-17(21-15)9-2-3-10-17/h14-15H,1-13H2,(H,19,20)
InChIKeyMYPNYISGXXLLFZ-UHFFFAOYSA-N
XLogP3.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanol
CID 102900024
methyl (2R)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-2-carboxylate
CID 102900010
N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboximidamide
CID 102848164
2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 102899249
3-[1-(3-methylbut-2-enyl)piperidin-2-yl]propanoic acid
CID 62218206
3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoic acid
CID 102899126
2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]acetic acid
CID 102899235
3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)propanoic acid
CID 102899699
3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid
CID 79894201
3-[1-[4-(dimethylamino)-4-oxobutyl]piperidin-2-yl]propanoic acid
CID 62216161
3-(1-cycloheptylpiperidin-2-yl)propanoic acid
CID 65062233
3-[2-[(1-ethylpiperidin-2-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]propanoic acid
CID 117169204

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]propanoic acid (CID 102899176) is 3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1CC1CCC2(CCCC2)O1.
What is the InChIKey of 3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]propanoic acid?
The InChIKey is MYPNYISGXXLLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c19-16(20)7-6-14-5-1-4-12-18(14)13-15-8-11-17(21-15)9-2-3-10-17/h14-15H,1-13H2,(H,19,20).
What are the key properties of 3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]propanoic acid?
3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]propanoic acid has a molecular weight of 295.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 102899176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).