5-(furan-3-yl)pyrrolidine-2-carboxylic acid

C9H11NO3 — CID 55282588

IUPAC5-(furan-3-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(c2ccoc2)N1
InChIInChI=1S/C9H11NO3/c11-9(12)8-2-1-7(10-8)6-3-4-13-5-6/h3-5,7-8,10H,1-2H2,(H,11,12)
InChIKeyPNNROOCRSYRXOS-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.16
Rot. Bonds2

About 5-(furan-3-yl)pyrrolidine-2-carboxylic acid

5-(furan-3-yl)pyrrolidine-2-carboxylic acid (PubChem CID 55282588) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-(furan-3-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(furan-3-yl)pyrrolidine-2-carboxylic acid
PubChem CID55282588
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name5-(furan-3-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(c2ccoc2)N1
InChIInChI=1S/C9H11NO3/c11-9(12)8-2-1-7(10-8)6-3-4-13-5-6/h3-5,7-8,10H,1-2H2,(H,11,12)
InChIKeyPNNROOCRSYRXOS-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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Related Compounds

(E)-4-[(2S)-6beta-(3-Furyl)-3alpha-methylpiperidin-2-yl]-2-methyl-2-buten-1-ol
CID 10610640
(E)-4-[(2R,3R,6R)-6-(furan-3-yl)-3-methylpiperidin-2-yl]-2-methylbut-2-en-1-ol
CID 163194633
(2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 2762075
1-[[2,2,2-Trifluoro-1-(furan-3-yl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 166666815
2-(Furan-3-yl)piperidine
CID 5323923
methyl 3-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]propanoate
CID 46188811
dimethyl (2R,4S,5S)-5-(furan-2-yl)pyrrolidine-2,4-dicarboxylate
CID 101797924
N-methyl-3-(3-furyl)alanine
CID 123505246
methyl 4-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]butanoate
CID 146163818
methyl (E)-4-[(2R,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]but-3-enoate
CID 146163900
dimethyl (2R,4R,5S)-5-(furan-2-yl)pyrrolidine-2,4-dicarboxylate
CID 162416061
4-[6-(Furan-3-yl)-3-methylpiperidin-2-yl]-2-methylbut-2-en-1-ol
CID 73880727

Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(furan-3-yl)pyrrolidine-2-carboxylic acid (CID 55282588) is 5-(furan-3-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(furan-3-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(furan-3-yl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCC(c2ccoc2)N1.
What is the InChIKey of 5-(furan-3-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is PNNROOCRSYRXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-9(12)8-2-1-7(10-8)6-3-4-13-5-6/h3-5,7-8,10H,1-2H2,(H,11,12).
What are the key properties of 5-(furan-3-yl)pyrrolidine-2-carboxylic acid?
5-(furan-3-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-3-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55282588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).