2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-2-yl)pentanoic acid

C14H25NO3 — CID 142916225

IUPAC2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-2-yl)pentanoic acid
SMILESCCCC(C(=O)O)C1CCC2(CCN(C)CC2)O1
InChIInChI=1S/C14H25NO3/c1-3-4-11(13(16)17)12-5-6-14(18-12)7-9-15(2)10-8-14/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyCKGZTWGBSSEINY-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.13
Rot. Bonds4

About 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-2-yl)pentanoic acid

2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-2-yl)pentanoic acid (PubChem CID 142916225) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-2-yl)pentanoic acid.

Molecular Properties

Compound Name2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-2-yl)pentanoic acid
PubChem CID142916225
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-2-yl)pentanoic acid
SMILESCCCC(C(=O)O)C1CCC2(CCN(C)CC2)O1
InChIInChI=1S/C14H25NO3/c1-3-4-11(13(16)17)12-5-6-14(18-12)7-9-15(2)10-8-14/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyCKGZTWGBSSEINY-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-3,3-dipropyl-1-oxa-8-azaspiro[4.5]decane-2-carboxylic acid
CID 142916201
2-(1-methylpiperidin-4-yl)hexanoic acid
CID 174928941
2-(1-propylpiperidin-4-yl)hexanoic acid
CID 142749143
ethane;7-methyl-2-propan-2-yl-1-oxa-7-azaspiro[3.5]nonane
CID 170728342
2,8-dimethyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decane
CID 173100464
2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid
CID 67903560
3-(azepan-1-yl)-2-(1-methylpiperidin-4-yl)propanoic acid
CID 117239593
but-2-enedioic acid;2-ethyl-8-methyl-1-oxa-8-azaspiro[4.5]decan-3-one
CID 67712275
4-methyl-1-propylpiperidine-4-carboxylic acid
CID 23389278
2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pentanoic acid
CID 101347893
2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanoic acid
CID 115249968
2-amino-1-(1-methylpiperidin-4-yl)pentan-1-one
CID 155783343

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-2-yl)pentanoic acid?
The IUPAC name of 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-2-yl)pentanoic acid (CID 142916225) is 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-2-yl)pentanoic acid.
What is the SMILES notation for 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-2-yl)pentanoic acid?
The canonical SMILES for 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-2-yl)pentanoic acid is CCCC(C(=O)O)C1CCC2(CCN(C)CC2)O1.
What is the InChIKey of 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-2-yl)pentanoic acid?
The InChIKey is CKGZTWGBSSEINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-4-11(13(16)17)12-5-6-14(18-12)7-9-15(2)10-8-14/h11-12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-2-yl)pentanoic acid?
2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-2-yl)pentanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-2-yl)pentanoic acid is sourced from PubChem (CID 142916225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).