2-(furan-2-yl)-1,2-dimethylpyrrolidine-3-carboxylic acid

C11H15NO3 — CID 112710161

IUPAC2-(furan-2-yl)-1,2-dimethylpyrrolidine-3-carboxylic acid
SMILESCN1CCC(C(=O)O)C1(C)c1ccco1
InChIInChI=1S/C11H15NO3/c1-11(9-4-3-7-15-9)8(10(13)14)5-6-12(11)2/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)
InChIKeyZKDKDRWLVDVKBJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.53
Rot. Bonds2

About 2-(furan-2-yl)-1,2-dimethylpyrrolidine-3-carboxylic acid

2-(furan-2-yl)-1,2-dimethylpyrrolidine-3-carboxylic acid (PubChem CID 112710161) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(furan-2-yl)-1,2-dimethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-1,2-dimethylpyrrolidine-3-carboxylic acid
PubChem CID112710161
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-(furan-2-yl)-1,2-dimethylpyrrolidine-3-carboxylic acid
SMILESCN1CCC(C(=O)O)C1(C)c1ccco1
InChIInChI=1S/C11H15NO3/c1-11(9-4-3-7-15-9)8(10(13)14)5-6-12(11)2/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)
InChIKeyZKDKDRWLVDVKBJ-UHFFFAOYSA-N
XLogP1.53
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1,2-dimethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)-1,2-dimethylpyrrolidine-3-carboxylic acid (CID 112710161) is 2-(furan-2-yl)-1,2-dimethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-1,2-dimethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-1,2-dimethylpyrrolidine-3-carboxylic acid is CN1CCC(C(=O)O)C1(C)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-1,2-dimethylpyrrolidine-3-carboxylic acid?
The InChIKey is ZKDKDRWLVDVKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(9-4-3-7-15-9)8(10(13)14)5-6-12(11)2/h3-4,7-8H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 2-(furan-2-yl)-1,2-dimethylpyrrolidine-3-carboxylic acid?
2-(furan-2-yl)-1,2-dimethylpyrrolidine-3-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1,2-dimethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 112710161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).