1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-propylpyrrolidine-2-carboxylic acid

C17H25NO3 — CID 106979293

IUPAC1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1Cc1ccc(C2CC2C)o1
InChIInChI=1S/C17H25NO3/c1-3-7-17(16(19)20)8-4-9-18(17)11-13-5-6-15(21-13)14-10-12(14)2/h5-6,12,14H,3-4,7-11H2,1-2H3,(H,19,20)
InChIKeyIYYXYYUGOAZDGR-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.62
Rot. Bonds6

About 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-propylpyrrolidine-2-carboxylic acid

1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106979293) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106979293
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1Cc1ccc(C2CC2C)o1
InChIInChI=1S/C17H25NO3/c1-3-7-17(16(19)20)8-4-9-18(17)11-13-5-6-15(21-13)14-10-12(14)2/h5-6,12,14H,3-4,7-11H2,1-2H3,(H,19,20)
InChIKeyIYYXYYUGOAZDGR-UHFFFAOYSA-N
XLogP3.62
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106979293) is 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1Cc1ccc(C2CC2C)o1.
What is the InChIKey of 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is IYYXYYUGOAZDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-7-17(16(19)20)8-4-9-18(17)11-13-5-6-15(21-13)14-10-12(14)2/h5-6,12,14H,3-4,7-11H2,1-2H3,(H,19,20).
What are the key properties of 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106979293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).