3-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine-3-carboxylic acid

C15H19NO4 — CID 65064378

IUPAC3-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C2COc3cc(O)ccc32)C1
InChIInChI=1S/C15H19NO4/c1-2-15(14(18)19)5-6-16(9-15)12-8-20-13-7-10(17)3-4-11(12)13/h3-4,7,12,17H,2,5-6,8-9H2,1H3,(H,18,19)
InChIKeyUDLKCZHREIJMGV-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.01
Rot. Bonds3

About 3-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine-3-carboxylic acid (PubChem CID 65064378) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine-3-carboxylic acid
PubChem CID65064378
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C2COc3cc(O)ccc32)C1
InChIInChI=1S/C15H19NO4/c1-2-15(14(18)19)5-6-16(9-15)12-8-20-13-7-10(17)3-4-11(12)13/h3-4,7,12,17H,2,5-6,8-9H2,1H3,(H,18,19)
InChIKeyUDLKCZHREIJMGV-UHFFFAOYSA-N
XLogP2.01
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid
CID 65066158
1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid
CID 65056044
3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82986131
3-(azepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82977876
3-(4-ethoxypiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82981566
1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63148290
3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63145264
2-[1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidin-2-yl]acetic acid
CID 65063196
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2,3-dihydro-1-benzofuran-6-ol
CID 63240862
3-ethyl-1-[(2-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65063893
3-(2,4-dimethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82985765
3-(2-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82981229

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine-3-carboxylic acid (CID 65064378) is 3-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C2COc3cc(O)ccc32)C1.
What is the InChIKey of 3-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is UDLKCZHREIJMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-15(14(18)19)5-6-16(9-15)12-8-20-13-7-10(17)3-4-11(12)13/h3-4,7,12,17H,2,5-6,8-9H2,1H3,(H,18,19).
What are the key properties of 3-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65064378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).