3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid

C12H17NO3 — CID 65064280

IUPAC3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(Cc2ccoc2)C1
InChIInChI=1S/C12H17NO3/c1-2-12(11(14)15)4-5-13(9-12)7-10-3-6-16-8-10/h3,6,8H,2,4-5,7,9H2,1H3,(H,14,15)
InChIKeyOFBNDXGESSFSNR-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.97
Rot. Bonds4

About 3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid (PubChem CID 65064280) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid
PubChem CID65064280
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(Cc2ccoc2)C1
InChIInChI=1S/C12H17NO3/c1-2-12(11(14)15)4-5-13(9-12)7-10-3-6-16-8-10/h3,6,8H,2,4-5,7,9H2,1H3,(H,14,15)
InChIKeyOFBNDXGESSFSNR-UHFFFAOYSA-N
XLogP1.97
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 65068552
3-ethyl-1-[(2-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65063893
3-ethyl-1-[(2-ethylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65064228
[4-ethyl-1-(furan-3-ylmethyl)piperidin-4-yl]methanol
CID 115883315
1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid
CID 65072209
1-[(2,5-dimethylphenyl)methyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 55165586
(3S,4S)-1-(furan-3-ylmethyl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid
CID 135105447
1-[(4-chlorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55166742
(3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid
CID 34180361
4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 63124826
1-[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone
CID 97412788
ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
CID 59511336

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid (CID 65064280) is 3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(Cc2ccoc2)C1.
What is the InChIKey of 3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is OFBNDXGESSFSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-12(11(14)15)4-5-13(9-12)7-10-3-6-16-8-10/h3,6,8H,2,4-5,7,9H2,1H3,(H,14,15).
What are the key properties of 3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65064280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).