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

C11H21NO3 — CID 117013124

IUPAC2-[1-(3-methoxypropyl)-3-methylpyrrolidin-3-yl]acetic acid
SMILESCOCCCN1CCC(C)(CC(=O)O)C1
InChIInChI=1S/C11H21NO3/c1-11(8-10(13)14)4-6-12(9-11)5-3-7-15-2/h3-9H2,1-2H3,(H,13,14)
InChIKeyPDIBVCBQJIFMFS-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.21
Rot. Bonds6

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

2-[1-(3-methoxypropyl)-3-methylpyrrolidin-3-yl]acetic acid (PubChem CID 117013124) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[1-(3-methoxypropyl)-3-methylpyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methoxypropyl)-3-methylpyrrolidin-3-yl]acetic acid
PubChem CID117013124
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[1-(3-methoxypropyl)-3-methylpyrrolidin-3-yl]acetic acid
SMILESCOCCCN1CCC(C)(CC(=O)O)C1
InChIInChI=1S/C11H21NO3/c1-11(8-10(13)14)4-6-12(9-11)5-3-7-15-2/h3-9H2,1-2H3,(H,13,14)
InChIKeyPDIBVCBQJIFMFS-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid
CID 104648450
2-[1-[3-(dimethylamino)propyl]-3-methylpiperidin-3-yl]acetic acid
CID 117013317
1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63152515
2-(3-methyl-1-prop-2-enylpyrrolidin-3-yl)acetic acid
CID 117013117
2-[1-(3-methoxypropyl)-3,3-dimethylpiperidin-4-yl]acetic acid
CID 117024630
2-[4-(methoxymethyl)-4-methylpiperidin-1-yl]acetic acid
CID 121203104
(3S)-1-(3-methoxypropyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97221959
1-[3-(2-methoxyethoxy)propyl]-3-propylpyrrolidine-3-carboxylic acid
CID 103410884
2-methoxyacetic acid;1-(3-methoxypropyl)piperidine
CID 174749833
ethane;1-(2-methoxyethyl)-3,3-dimethylpyrrolidine
CID 142009512
2-(1,3-dimethylazepan-3-yl)acetic acid
CID 134365428
1-(3-methoxypropyl)-4,4-dimethylpiperidin-3-one
CID 117025155

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxypropyl)-3-methylpyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-methoxypropyl)-3-methylpyrrolidin-3-yl]acetic acid (CID 117013124) is 2-[1-(3-methoxypropyl)-3-methylpyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-methoxypropyl)-3-methylpyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-methoxypropyl)-3-methylpyrrolidin-3-yl]acetic acid is COCCCN1CCC(C)(CC(=O)O)C1.
What is the InChIKey of 2-[1-(3-methoxypropyl)-3-methylpyrrolidin-3-yl]acetic acid?
The InChIKey is PDIBVCBQJIFMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(8-10(13)14)4-6-12(9-11)5-3-7-15-2/h3-9H2,1-2H3,(H,13,14).
What are the key properties of 2-[1-(3-methoxypropyl)-3-methylpyrrolidin-3-yl]acetic acid?
2-[1-(3-methoxypropyl)-3-methylpyrrolidin-3-yl]acetic acid has a molecular weight of 215.29 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxypropyl)-3-methylpyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 117013124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).