2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid

C13H21NO4 — CID 79893611

IUPAC2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C13H21NO4/c15-12(16)5-10-7-14(8-10)11-1-3-18-13(6-11)2-4-17-9-13/h10-11H,1-9H2,(H,15,16)
InChIKeyYXUJGNNWIBZCEP-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.73
Rot. Bonds3

About 2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid

2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid (PubChem CID 79893611) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid
PubChem CID79893611
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C13H21NO4/c15-12(16)5-10-7-14(8-10)11-1-3-18-13(6-11)2-4-17-9-13/h10-11H,1-9H2,(H,15,16)
InChIKeyYXUJGNNWIBZCEP-UHFFFAOYSA-N
XLogP0.73
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid with MolForge

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Related Compounds

2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid
CID 79894445
3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]propanoic acid
CID 79901129
2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid
CID 79894117
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 79894208
2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid
CID 79902227
[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]methanol
CID 79919762
(3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine
CID 115302425
2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)-1,4-diazepan-1-yl]acetic acid
CID 79901138
2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
CID 79899396
2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid
CID 79901134
2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)thiomorpholin-3-yl]acetic acid
CID 79894676
1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol
CID 79920646

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid (CID 79893611) is 2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(C2CCOC3(CCOC3)C2)C1.
What is the InChIKey of 2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid?
The InChIKey is YXUJGNNWIBZCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c15-12(16)5-10-7-14(8-10)11-1-3-18-13(6-11)2-4-17-9-13/h10-11H,1-9H2,(H,15,16).
What are the key properties of 2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid?
2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid has a molecular weight of 255.31 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 79893611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).