5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid

C10H13NO3 — CID 62267284

IUPAC5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(CN2CCCC2)c1
InChIInChI=1S/C10H13NO3/c12-10(13)8-5-9(14-7-8)6-11-3-1-2-4-11/h5,7H,1-4,6H2,(H,12,13)
InChIKeyFDMCFTGCENIVRX-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.57
Rot. Bonds3

About 5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid

5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid (PubChem CID 62267284) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid
PubChem CID62267284
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(CN2CCCC2)c1
InChIInChI=1S/C10H13NO3/c12-10(13)8-5-9(14-7-8)6-11-3-1-2-4-11/h5,7H,1-4,6H2,(H,12,13)
InChIKeyFDMCFTGCENIVRX-UHFFFAOYSA-N
XLogP1.57
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,4-diazepan-1-ylmethyl)furan-3-carboxylic acid
CID 62267643
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-carboxylic acid
CID 55053671
5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid
CID 112626150
5-[(3,4-dimethylpiperazin-1-yl)methyl]furan-3-carboxylic acid
CID 63608514
5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylmethyl]furan-3-carboxylic acid
CID 114235821
5-(hydroxymethyl)furan-3-carboxylic acid
CID 15422126
5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]furan-3-carboxylic acid
CID 104608599
5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid
CID 64598988
5-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]furan-3-carboxylic acid
CID 113391004
5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid
CID 55054227
5-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid
CID 106318966
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid
CID 55054315

Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid?
The IUPAC name of 5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid (CID 62267284) is 5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid is O=C(O)c1coc(CN2CCCC2)c1.
What is the InChIKey of 5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid?
The InChIKey is FDMCFTGCENIVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-10(13)8-5-9(14-7-8)6-11-3-1-2-4-11/h5,7H,1-4,6H2,(H,12,13).
What are the key properties of 5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid?
5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid is sourced from PubChem (CID 62267284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).