1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid

C16H25NO3 — CID 106979397

IUPAC1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(C)c1cc(C)oc1C
InChIInChI=1S/C16H25NO3/c1-5-7-16(15(18)19)8-6-9-17(16)12(3)14-10-11(2)20-13(14)4/h10,12H,5-9H2,1-4H3,(H,18,19)
InChIKeyKBWKFMQNUOXNRK-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.68
Rot. Bonds5

About 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid

1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106979397) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106979397
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(C)c1cc(C)oc1C
InChIInChI=1S/C16H25NO3/c1-5-7-16(15(18)19)8-6-9-17(16)12(3)14-10-11(2)20-13(14)4/h10,12H,5-9H2,1-4H3,(H,18,19)
InChIKeyKBWKFMQNUOXNRK-UHFFFAOYSA-N
XLogP3.68
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979306
1-[1-(5-bromothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979384
1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978795
1-[1-(2,4-dimethylphenyl)ethyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83080641
1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978794
1-(1-cyanoethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978796
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979077
2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080387
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978854
1-(2-methylpropylsulfonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977418
2-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 83080564

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106979397) is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(C)c1cc(C)oc1C.
What is the InChIKey of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is KBWKFMQNUOXNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-7-16(15(18)19)8-6-9-17(16)12(3)14-10-11(2)20-13(14)4/h10,12H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106979397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).