1-[1-(furan-2-yl)propan-2-yl]-3-propylpyrrolidine-3-carboxylic acid

C15H23NO3 — CID 65068895

IUPAC1-[1-(furan-2-yl)propan-2-yl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(C)Cc2ccco2)C1
InChIInChI=1S/C15H23NO3/c1-3-6-15(14(17)18)7-8-16(11-15)12(2)10-13-5-4-9-19-13/h4-5,9,12H,3,6-8,10-11H2,1-2H3,(H,17,18)
InChIKeyKSGITVXQFLGKAG-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.79
Rot. Bonds6

About 1-[1-(furan-2-yl)propan-2-yl]-3-propylpyrrolidine-3-carboxylic acid

1-[1-(furan-2-yl)propan-2-yl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 65068895) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)propan-2-yl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(furan-2-yl)propan-2-yl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID65068895
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[1-(furan-2-yl)propan-2-yl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(C)Cc2ccco2)C1
InChIInChI=1S/C15H23NO3/c1-3-6-15(14(17)18)7-8-16(11-15)12(2)10-13-5-4-9-19-13/h4-5,9,12H,3,6-8,10-11H2,1-2H3,(H,17,18)
InChIKeyKSGITVXQFLGKAG-UHFFFAOYSA-N
XLogP2.79
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(furan-2-yl)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65060718
1-[1-(furan-2-yl)ethyl]-3-propylpiperidine-3-carboxylic acid
CID 65068786
3-ethyl-1-[1-(furan-2-yl)propan-2-ylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63147179
1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65064430
1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 63148765
1-(2,6-dimethylheptan-4-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 114866937
1-[1-(2,5-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65064384
3-ethyl-1-[1-(4-hydroxyphenyl)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 115496197
1-[1-(3,4-dichlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068465
11-[1-(furan-2-yl)propan-2-yl]-7,11-diazaspiro[5.6]dodecane
CID 64942841
1-[1-(1-methylpyrazol-4-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068753
4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione
CID 63789266

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)propan-2-yl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(furan-2-yl)propan-2-yl]-3-propylpyrrolidine-3-carboxylic acid (CID 65068895) is 1-[1-(furan-2-yl)propan-2-yl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(furan-2-yl)propan-2-yl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(furan-2-yl)propan-2-yl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(C)Cc2ccco2)C1.
What is the InChIKey of 1-[1-(furan-2-yl)propan-2-yl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is KSGITVXQFLGKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-6-15(14(17)18)7-8-16(11-15)12(2)10-13-5-4-9-19-13/h4-5,9,12H,3,6-8,10-11H2,1-2H3,(H,17,18).
What are the key properties of 1-[1-(furan-2-yl)propan-2-yl]-3-propylpyrrolidine-3-carboxylic acid?
1-[1-(furan-2-yl)propan-2-yl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)propan-2-yl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65068895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).