2-[3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid

C12H20N2O4 — CID 107141946

IUPAC2-[3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(N2CCCC3(C2)OCCO3)CNC1
InChIInChI=1S/C12H20N2O4/c15-10(16)6-11(7-13-8-11)14-3-1-2-12(9-14)17-4-5-18-12/h13H,1-9H2,(H,15,16)
InChIKeyLFTBJYNXAXMICV-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.36
Rot. Bonds3

About 2-[3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid

2-[3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid (PubChem CID 107141946) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid
PubChem CID107141946
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(N2CCCC3(C2)OCCO3)CNC1
InChIInChI=1S/C12H20N2O4/c15-10(16)6-11(7-13-8-11)14-3-1-2-12(9-14)17-4-5-18-12/h13H,1-9H2,(H,15,16)
InChIKeyLFTBJYNXAXMICV-UHFFFAOYSA-N
XLogP-0.36
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3,3-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid
CID 107141855
2-[3-(azepan-1-yl)azetidin-3-yl]acetic acid
CID 107141430
2-[3-[2-(hydroxymethyl)morpholin-4-yl]azetidin-3-yl]acetic acid
CID 107141943
2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid
CID 107141424
2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid
CID 83682736
2-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)azetidin-3-yl]acetic acid
CID 107141752
2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid
CID 107141587
2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid
CID 107141899
2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107143244
2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid
CID 107141865
2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107141559
2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)azetidin-3-yl]acetic acid
CID 107141922

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid (CID 107141946) is 2-[3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid is O=C(O)CC1(N2CCCC3(C2)OCCO3)CNC1.
What is the InChIKey of 2-[3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid?
The InChIKey is LFTBJYNXAXMICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-10(16)6-11(7-13-8-11)14-3-1-2-12(9-14)17-4-5-18-12/h13H,1-9H2,(H,15,16).
What are the key properties of 2-[3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid?
2-[3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid has a molecular weight of 256.30 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).