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

C11H15NO3 — CID 83820589

IUPAC2-[3-(furan-2-yl)-1-methylpyrrolidin-3-yl]acetic acid
SMILESCN1CCC(CC(=O)O)(c2ccco2)C1
InChIInChI=1S/C11H15NO3/c1-12-5-4-11(8-12,7-10(13)14)9-3-2-6-15-9/h2-3,6H,4-5,7-8H2,1H3,(H,13,14)
InChIKeyZYCKIXCCKDJBKX-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.33
Rot. Bonds3

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

2-[3-(furan-2-yl)-1-methylpyrrolidin-3-yl]acetic acid (PubChem CID 83820589) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-1-methylpyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-1-methylpyrrolidin-3-yl]acetic acid
PubChem CID83820589
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-[3-(furan-2-yl)-1-methylpyrrolidin-3-yl]acetic acid
SMILESCN1CCC(CC(=O)O)(c2ccco2)C1
InChIInChI=1S/C11H15NO3/c1-12-5-4-11(8-12,7-10(13)14)9-3-2-6-15-9/h2-3,6H,4-5,7-8H2,1H3,(H,13,14)
InChIKeyZYCKIXCCKDJBKX-UHFFFAOYSA-N
XLogP1.33
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[1-(furan-2-yl)cyclopropyl]acetate
CID 102087507
2-(furan-2-yl)-1-methyl-2-phenylpiperidine
CID 57269889
[1-(furan-2-yl)cyclopropyl]methanamine
CID 15611188
2-(furan-2-yl)-1,2-dimethylpyrrolidine-3-carboxylic acid
CID 112710161
3-[3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]propanoic acid
CID 71401256
O-[[1-(furan-2-yl)cyclopropyl]methyl]hydroxylamine
CID 83681987
2-[1-[2-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid
CID 117365328
3-(furan-2-yl)-3-(4-methylpiperazin-1-yl)propanoic acid
CID 82129783
2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid
CID 64527345
(2R)-2-(furan-2-yl)pyrrolidine-2-carboxylic acid
CID 70544548
ethyl 1-(furan-2-yl)cyclopropane-1-carboxylate
CID 105438633
ethyl 2-[1-[3-(furan-2-yl)-3-oxopropyl]-4-phenylpiperidin-4-yl]acetate
CID 170859240

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-1-methylpyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(furan-2-yl)-1-methylpyrrolidin-3-yl]acetic acid (CID 83820589) is 2-[3-(furan-2-yl)-1-methylpyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(furan-2-yl)-1-methylpyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(furan-2-yl)-1-methylpyrrolidin-3-yl]acetic acid is CN1CCC(CC(=O)O)(c2ccco2)C1.
What is the InChIKey of 2-[3-(furan-2-yl)-1-methylpyrrolidin-3-yl]acetic acid?
The InChIKey is ZYCKIXCCKDJBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-12-5-4-11(8-12,7-10(13)14)9-3-2-6-15-9/h2-3,6H,4-5,7-8H2,1H3,(H,13,14).
What are the key properties of 2-[3-(furan-2-yl)-1-methylpyrrolidin-3-yl]acetic acid?
2-[3-(furan-2-yl)-1-methylpyrrolidin-3-yl]acetic acid has a molecular weight of 209.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-1-methylpyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 83820589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).