5-(furan-2-yl)pyrrolidine-2-carboxylic acid

C9H11NO3 — CID 19968166

IUPAC5-(furan-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(c2ccco2)N1
InChIInChI=1S/C9H11NO3/c11-9(12)7-4-3-6(10-7)8-2-1-5-13-8/h1-2,5-7,10H,3-4H2,(H,11,12)
InChIKeyCOUODMKASLDGHX-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.16
Rot. Bonds2

About 5-(furan-2-yl)pyrrolidine-2-carboxylic acid

5-(furan-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 19968166) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-(furan-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(furan-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID19968166
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name5-(furan-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(c2ccco2)N1
InChIInChI=1S/C9H11NO3/c11-9(12)7-4-3-6(10-7)8-2-1-5-13-8/h1-2,5-7,10H,3-4H2,(H,11,12)
InChIKeyCOUODMKASLDGHX-UHFFFAOYSA-N
XLogP1.16
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(furan-2-yl)pyrrolidine-2-carboxylic acid (CID 19968166) is 5-(furan-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(furan-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(furan-2-yl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCC(c2ccco2)N1.
What is the InChIKey of 5-(furan-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is COUODMKASLDGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-9(12)7-4-3-6(10-7)8-2-1-5-13-8/h1-2,5-7,10H,3-4H2,(H,11,12).
What are the key properties of 5-(furan-2-yl)pyrrolidine-2-carboxylic acid?
5-(furan-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 19968166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).