2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid

C12H22N2O3 — CID 107143244

IUPAC2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid
SMILESCOCC1CCCN(C2(CC(=O)O)CNC2)C1
InChIInChI=1S/C12H22N2O3/c1-17-7-10-3-2-4-14(6-10)12(5-11(15)16)8-13-9-12/h10,13H,2-9H2,1H3,(H,15,16)
InChIKeyJWQJPRUKZILTAT-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.16
Rot. Bonds5

About 2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid

2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid (PubChem CID 107143244) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid
PubChem CID107143244
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid
SMILESCOCC1CCCN(C2(CC(=O)O)CNC2)C1
InChIInChI=1S/C12H22N2O3/c1-17-7-10-3-2-4-14(6-10)12(5-11(15)16)8-13-9-12/h10,13H,2-9H2,1H3,(H,15,16)
InChIKeyJWQJPRUKZILTAT-UHFFFAOYSA-N
XLogP0.16
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid
CID 107141865
2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid
CID 107141762
2-[3-(azepan-1-yl)azetidin-3-yl]acetic acid
CID 107141430
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-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid
CID 107143242
2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107141559
2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid
CID 107141424
2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid
CID 107141899
2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 106588104
2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107141882
2-[3-[2-(hydroxymethyl)morpholin-4-yl]azetidin-3-yl]acetic acid
CID 107141943
[3-(methoxymethyl)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119781751

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid (CID 107143244) is 2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid is COCC1CCCN(C2(CC(=O)O)CNC2)C1.
What is the InChIKey of 2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid?
The InChIKey is JWQJPRUKZILTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-17-7-10-3-2-4-14(6-10)12(5-11(15)16)8-13-9-12/h10,13H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid?
2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107143244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).