5-(2-methylpyrrolidin-1-yl)furan-2-carboxylic acid

C10H13NO3 — CID 62206197

IUPAC5-(2-methylpyrrolidin-1-yl)furan-2-carboxylic acid
SMILESCC1CCCN1c1ccc(C(=O)O)o1
InChIInChI=1S/C10H13NO3/c1-7-3-2-6-11(7)9-5-4-8(14-9)10(12)13/h4-5,7H,2-3,6H2,1H3,(H,12,13)
InChIKeyCIEBCVUUDQZJQS-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.97
Rot. Bonds2

About 5-(2-methylpyrrolidin-1-yl)furan-2-carboxylic acid

5-(2-methylpyrrolidin-1-yl)furan-2-carboxylic acid (PubChem CID 62206197) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-(2-methylpyrrolidin-1-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylpyrrolidin-1-yl)furan-2-carboxylic acid
PubChem CID62206197
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name5-(2-methylpyrrolidin-1-yl)furan-2-carboxylic acid
SMILESCC1CCCN1c1ccc(C(=O)O)o1
InChIInChI=1S/C10H13NO3/c1-7-3-2-6-11(7)9-5-4-8(14-9)10(12)13/h4-5,7H,2-3,6H2,1H3,(H,12,13)
InChIKeyCIEBCVUUDQZJQS-UHFFFAOYSA-N
XLogP1.97
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrrolidin-1-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(2-methylpyrrolidin-1-yl)furan-2-carboxylic acid (CID 62206197) is 5-(2-methylpyrrolidin-1-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-methylpyrrolidin-1-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-methylpyrrolidin-1-yl)furan-2-carboxylic acid is CC1CCCN1c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(2-methylpyrrolidin-1-yl)furan-2-carboxylic acid?
The InChIKey is CIEBCVUUDQZJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7-3-2-6-11(7)9-5-4-8(14-9)10(12)13/h4-5,7H,2-3,6H2,1H3,(H,12,13).
What are the key properties of 5-(2-methylpyrrolidin-1-yl)furan-2-carboxylic acid?
5-(2-methylpyrrolidin-1-yl)furan-2-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrrolidin-1-yl)furan-2-carboxylic acid is sourced from PubChem (CID 62206197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).