1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpyrrolidine-3-carboxylic acid

C14H23NO4 — CID 79894208

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C2CCOC3(CCOC3)C2)CC1C(=O)O
InChIInChI=1S/C14H23NO4/c1-10-7-15(8-12(10)13(16)17)11-2-4-19-14(6-11)3-5-18-9-14/h10-12H,2-9H2,1H3,(H,16,17)
InChIKeyGZAOZTNZTBAPPS-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.98
Rot. Bonds2

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpyrrolidine-3-carboxylic acid

1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 79894208) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID79894208
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C2CCOC3(CCOC3)C2)CC1C(=O)O
InChIInChI=1S/C14H23NO4/c1-10-7-15(8-12(10)13(16)17)11-2-4-19-14(6-11)3-5-18-9-14/h10-12H,2-9H2,1H3,(H,16,17)
InChIKeyGZAOZTNZTBAPPS-UHFFFAOYSA-N
XLogP0.98
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 79894133
2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid
CID 79893611
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol
CID 79919999
2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid
CID 79894117
3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]propanoic acid
CID 79901129
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpyrrolidin-3-amine
CID 115300476
1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol
CID 79920646
1-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65065747
(3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine
CID 115302425
[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]methanol
CID 79919762
2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone
CID 79920975
2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)-1,4-diazepan-1-yl]acetic acid
CID 79901138

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpyrrolidine-3-carboxylic acid (CID 79894208) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpyrrolidine-3-carboxylic acid is CC1CN(C2CCOC3(CCOC3)C2)CC1C(=O)O.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is GZAOZTNZTBAPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-10-7-15(8-12(10)13(16)17)11-2-4-19-14(6-11)3-5-18-9-14/h10-12H,2-9H2,1H3,(H,16,17).
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpyrrolidine-3-carboxylic acid?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79894208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).