2-[3-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid

C11H20N2O4 — CID 107143242

IUPAC2-[3-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid
SMILESCOC1CN(C2(CC(=O)O)CNC2)CC1OC
InChIInChI=1S/C11H20N2O4/c1-16-8-4-13(5-9(8)17-2)11(3-10(14)15)6-12-7-11/h8-9,12H,3-7H2,1-2H3,(H,14,15)
InChIKeyHRICSPFBGKDROD-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.85
Rot. Bonds5

About 2-[3-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid

2-[3-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid (PubChem CID 107143242) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[3-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid
PubChem CID107143242
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[3-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid
SMILESCOC1CN(C2(CC(=O)O)CNC2)CC1OC
InChIInChI=1S/C11H20N2O4/c1-16-8-4-13(5-9(8)17-2)11(3-10(14)15)6-12-7-11/h8-9,12H,3-7H2,1-2H3,(H,14,15)
InChIKeyHRICSPFBGKDROD-UHFFFAOYSA-N
XLogP-0.85
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-methylpiperazin-1-yl)azetidin-3-yl]acetic acid
CID 107141424
2-[3-(azepan-1-yl)azetidin-3-yl]acetic acid
CID 107141430
2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107141559
2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid
CID 107141762
2-[3-(3,3-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid
CID 107141855
2-[3-[2-(hydroxymethyl)morpholin-4-yl]azetidin-3-yl]acetic acid
CID 107141943
2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)azetidin-3-yl]acetic acid
CID 107141922
2-[3-(2,5-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid
CID 107141887
2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107141882
2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]acetic acid
CID 103540468

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid (CID 107143242) is 2-[3-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid is COC1CN(C2(CC(=O)O)CNC2)CC1OC.
What is the InChIKey of 2-[3-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid?
The InChIKey is HRICSPFBGKDROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-16-8-4-13(5-9(8)17-2)11(3-10(14)15)6-12-7-11/h8-9,12H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[3-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid?
2-[3-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid has a molecular weight of 244.29 g/mol, XLogP of -0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107143242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).