2-(1,5-dimethylpyrrolidin-3-yl)oxyacetic acid

C8H15NO3 — CID 154536862

IUPAC2-(1,5-dimethylpyrrolidin-3-yl)oxyacetic acid
SMILESCC1CC(OCC(=O)O)CN1C
InChIInChI=1S/C8H15NO3/c1-6-3-7(4-9(6)2)12-5-8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyDSFMQMQMDVFOMP-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.18
Rot. Bonds3

About 2-(1,5-dimethylpyrrolidin-3-yl)oxyacetic acid

2-(1,5-dimethylpyrrolidin-3-yl)oxyacetic acid (PubChem CID 154536862) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrrolidin-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1,5-dimethylpyrrolidin-3-yl)oxyacetic acid
PubChem CID154536862
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-(1,5-dimethylpyrrolidin-3-yl)oxyacetic acid
SMILESCC1CC(OCC(=O)O)CN1C
InChIInChI=1S/C8H15NO3/c1-6-3-7(4-9(6)2)12-5-8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyDSFMQMQMDVFOMP-UHFFFAOYSA-N
XLogP0.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-4-(carboxymethoxy)-1-methylpyrrolidine-2-carboxylic acid
CID 170367502
(1,5-dimethylpyrrolidin-3-yl) 2-methylpropanoate
CID 137430030
1,2-dimethylaziridine;propanoic acid
CID 175486579
2-[carboxymethyl-(1,5-dimethylpyrrolidin-3-yl)amino]acetic acid
CID 81467953
2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid
CID 66563754
2-(4-fluorocyclohexyl)oxyacetic acid
CID 84732095
2-[1-(4-methylpentyl)piperidin-4-yl]oxyacetic acid
CID 83158487
2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869728
2-(1-methylpiperazin-2-yl)oxyacetic acid
CID 70343021
2-cycloheptyloxyacetic acid
CID 61069533
2-cyclododecyloxyacetic acid
CID 19371812
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid
CID 104564872

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrrolidin-3-yl)oxyacetic acid?
The IUPAC name of 2-(1,5-dimethylpyrrolidin-3-yl)oxyacetic acid (CID 154536862) is 2-(1,5-dimethylpyrrolidin-3-yl)oxyacetic acid.
What is the SMILES notation for 2-(1,5-dimethylpyrrolidin-3-yl)oxyacetic acid?
The canonical SMILES for 2-(1,5-dimethylpyrrolidin-3-yl)oxyacetic acid is CC1CC(OCC(=O)O)CN1C.
What is the InChIKey of 2-(1,5-dimethylpyrrolidin-3-yl)oxyacetic acid?
The InChIKey is DSFMQMQMDVFOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6-3-7(4-9(6)2)12-5-8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-(1,5-dimethylpyrrolidin-3-yl)oxyacetic acid?
2-(1,5-dimethylpyrrolidin-3-yl)oxyacetic acid has a molecular weight of 173.21 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrrolidin-3-yl)oxyacetic acid is sourced from PubChem (CID 154536862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).