2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pentanoic acid

C13H23NO4 — CID 106941098

IUPAC2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pentanoic acid
SMILESCCCC(OC1COC2(CCNCC2)C1)C(=O)O
InChIInChI=1S/C13H23NO4/c1-2-3-11(12(15)16)18-10-8-13(17-9-10)4-6-14-7-5-13/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyJHHPPEKZDPVQGL-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.17
Rot. Bonds5

About 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pentanoic acid

2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pentanoic acid (PubChem CID 106941098) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pentanoic acid.

Molecular Properties

Compound Name2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pentanoic acid
PubChem CID106941098
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pentanoic acid
SMILESCCCC(OC1COC2(CCNCC2)C1)C(=O)O
InChIInChI=1S/C13H23NO4/c1-2-3-11(12(15)16)18-10-8-13(17-9-10)4-6-14-7-5-13/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyJHHPPEKZDPVQGL-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

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Related Compounds

N-ethyl-2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propanamide
CID 102930345
N-butyl-2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propanamide
CID 102930304
methyl 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propanoate
CID 106941120
2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-N-propan-2-ylpropanamide
CID 102930305
1-oxa-8-azaspiro[4.5]decan-3-yl N,N-dimethylcarbamate
CID 102930688
1-oxa-8-azaspiro[4.5]decan-3-yl N-ethylcarbamate
CID 102930703
3-(2-methylsulfonylethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 102930216
2-(oxetan-3-yloxy)hexanoic acid
CID 102605290
N,N-dimethyl-2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)acetamide
CID 102930339
3-(3,3-diethoxypropoxy)-1-oxa-8-azaspiro[4.5]decane
CID 102930291
N-tert-butyl-2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)acetamide
CID 102930376
1-oxa-8-azaspiro[4.5]decan-3-yl N-benzylcarbamate
CID 107654733

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pentanoic acid?
The IUPAC name of 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pentanoic acid (CID 106941098) is 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pentanoic acid.
What is the SMILES notation for 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pentanoic acid?
The canonical SMILES for 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pentanoic acid is CCCC(OC1COC2(CCNCC2)C1)C(=O)O.
What is the InChIKey of 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pentanoic acid?
The InChIKey is JHHPPEKZDPVQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-2-3-11(12(15)16)18-10-8-13(17-9-10)4-6-14-7-5-13/h10-11,14H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pentanoic acid?
2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)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-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pentanoic acid is sourced from PubChem (CID 106941098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).