3-[4-(3-hydroxypyrrolidin-1-yl)phenyl]furan-2-carboxylic acid

C15H15NO4 — CID 167878798

IUPAC3-[4-(3-hydroxypyrrolidin-1-yl)phenyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1-c1ccc(N2CCC(O)C2)cc1
InChIInChI=1S/C15H15NO4/c17-12-5-7-16(9-12)11-3-1-10(2-4-11)13-6-8-20-14(13)15(18)19/h1-4,6,8,12,17H,5,7,9H2,(H,18,19)
InChIKeyKGGHBTKQPOCETA-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.22
Rot. Bonds3

About 3-[4-(3-hydroxypyrrolidin-1-yl)phenyl]furan-2-carboxylic acid

3-[4-(3-hydroxypyrrolidin-1-yl)phenyl]furan-2-carboxylic acid (PubChem CID 167878798) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[4-(3-hydroxypyrrolidin-1-yl)phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[4-(3-hydroxypyrrolidin-1-yl)phenyl]furan-2-carboxylic acid
PubChem CID167878798
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name3-[4-(3-hydroxypyrrolidin-1-yl)phenyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1-c1ccc(N2CCC(O)C2)cc1
InChIInChI=1S/C15H15NO4/c17-12-5-7-16(9-12)11-3-1-10(2-4-11)13-6-8-20-14(13)15(18)19/h1-4,6,8,12,17H,5,7,9H2,(H,18,19)
InChIKeyKGGHBTKQPOCETA-UHFFFAOYSA-N
XLogP2.22
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)furan-2-carboxylic acid
CID 19874616
1-phenylpyrrolidin-3-ol
CID 11171152
(3S)-1-(4-bromophenyl)pyrrolidin-3-ol
CID 67148437
4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid
CID 94373368
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-phenylfuran-2-carboxamide
CID 60579615
N-[furan-2-yl(phenyl)methyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide
CID 166401804
1-(3-hydroxyphenyl)pyrrolidin-3-ol
CID 90894280
7-[(3S)-3-hydroxypyrrolidin-1-yl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
CID 70995521
N-(2-amino-5-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide
CID 59737305
lithium;(3S)-1-phenylpyrrolidin-3-ol;[(3S)-1-phenylpyrrolidin-3-yl] acetate;sulfane;hydroxide
CID 158883965
N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide
CID 76981328
(3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol
CID 95732309

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-hydroxypyrrolidin-1-yl)phenyl]furan-2-carboxylic acid?
The IUPAC name of 3-[4-(3-hydroxypyrrolidin-1-yl)phenyl]furan-2-carboxylic acid (CID 167878798) is 3-[4-(3-hydroxypyrrolidin-1-yl)phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[4-(3-hydroxypyrrolidin-1-yl)phenyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[4-(3-hydroxypyrrolidin-1-yl)phenyl]furan-2-carboxylic acid is O=C(O)c1occc1-c1ccc(N2CCC(O)C2)cc1.
What is the InChIKey of 3-[4-(3-hydroxypyrrolidin-1-yl)phenyl]furan-2-carboxylic acid?
The InChIKey is KGGHBTKQPOCETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-12-5-7-16(9-12)11-3-1-10(2-4-11)13-6-8-20-14(13)15(18)19/h1-4,6,8,12,17H,5,7,9H2,(H,18,19).
What are the key properties of 3-[4-(3-hydroxypyrrolidin-1-yl)phenyl]furan-2-carboxylic acid?
3-[4-(3-hydroxypyrrolidin-1-yl)phenyl]furan-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-hydroxypyrrolidin-1-yl)phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 167878798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).