1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid

C15H26N2O3 — CID 106978794

IUPAC1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(C)C(=O)N1CCCC1
InChIInChI=1S/C15H26N2O3/c1-3-7-15(14(19)20)8-6-11-17(15)12(2)13(18)16-9-4-5-10-16/h12H,3-11H2,1-2H3,(H,19,20)
InChIKeyINEYDCMNFGBSIC-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.72
Rot. Bonds5

About 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid

1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978794) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978794
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(C)C(=O)N1CCCC1
InChIInChI=1S/C15H26N2O3/c1-3-7-15(14(19)20)8-6-11-17(15)12(2)13(18)16-9-4-5-10-16/h12H,3-11H2,1-2H3,(H,19,20)
InChIKeyINEYDCMNFGBSIC-UHFFFAOYSA-N
XLogP1.72
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978795
1-(1-cyanoethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978796
1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978854
1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979055
1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979306
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
1-(2-methylpropylsulfonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977418
1-cyclopentyl-2-propylpyrrolidine-2-carboxylic acid
CID 106978679
1-[1-(5-bromothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979384
1-[1-(5-bromofuran-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979370
2-ethyl-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
CID 83070935
1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83079579

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid (CID 106978794) is 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(C)C(=O)N1CCCC1.
What is the InChIKey of 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is INEYDCMNFGBSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-7-15(14(19)20)8-6-11-17(15)12(2)13(18)16-9-4-5-10-16/h12H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid?
1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).