2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid

C8H15NO3 — CID 66563768

IUPAC2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid
SMILESCN1CCC(COCC(=O)O)C1
InChIInChI=1S/C8H15NO3/c1-9-3-2-7(4-9)5-12-6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyHUQIWINFUYRJEN-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.04
Rot. Bonds4

About 2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid

2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid (PubChem CID 66563768) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid
PubChem CID66563768
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid
SMILESCN1CCC(COCC(=O)O)C1
InChIInChI=1S/C8H15NO3/c1-9-3-2-7(4-9)5-12-6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyHUQIWINFUYRJEN-UHFFFAOYSA-N
XLogP0.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3R)-1-acetylpyrrolidin-3-yl]methoxy]acetic acid
CID 96551850
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
2-[[(3R)-1-acetylpiperidin-3-yl]methoxy]acetic acid
CID 96885372
(3R)-3-(ethoxymethyl)-1-methylpyrrolidine
CID 58134293
2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methoxy]acetic acid
CID 162750163
2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid
CID 18396255
2-[[1-(trifluoromethyl)piperidin-3-yl]methoxy]acetic acid
CID 71649748
1-methyl-4-[(1-methylpiperidin-4-yl)methoxymethyl]piperidine
CID 142760200
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid
CID 92669710
2-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid
CID 61328994
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
(3R)-1-methyl-3-(methylsulfanyloxymethyl)pyrrolidine
CID 139553524

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid?
The IUPAC name of 2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid (CID 66563768) is 2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid is CN1CCC(COCC(=O)O)C1.
What is the InChIKey of 2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid?
The InChIKey is HUQIWINFUYRJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-9-3-2-7(4-9)5-12-6-8(10)11/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid?
2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid has a molecular weight of 173.21 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid is sourced from PubChem (CID 66563768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).