1-(5-oxopyrrolidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid

C13H20N2O4 — CID 106977188

IUPAC1-(5-oxopyrrolidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)C1CCC(=O)N1
InChIInChI=1S/C13H20N2O4/c1-2-6-13(12(18)19)7-3-8-15(13)11(17)9-4-5-10(16)14-9/h9H,2-8H2,1H3,(H,14,16)(H,18,19)
InChIKeyALSLFEMJTZFXQF-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.51
Rot. Bonds4

About 1-(5-oxopyrrolidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid

1-(5-oxopyrrolidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106977188) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-(5-oxopyrrolidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-oxopyrrolidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106977188
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-(5-oxopyrrolidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)C1CCC(=O)N1
InChIInChI=1S/C13H20N2O4/c1-2-6-13(12(18)19)7-3-8-15(13)11(17)9-4-5-10(16)14-9/h9H,2-8H2,1H3,(H,14,16)(H,18,19)
InChIKeyALSLFEMJTZFXQF-UHFFFAOYSA-N
XLogP0.51
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(piperidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106975985
1-(4-ethylpiperidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976061
1-(bicyclo[3.1.0]hexane-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977101
1-(2-aminocycloheptanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976030
2-ethyl-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83191714
1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977296
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977361
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
2-ethyl-1-(4-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 83075872
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propylpyrrolidine-2-carboxylic acid
CID 4205688
1-(4-aminopiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978284

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxopyrrolidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-oxopyrrolidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106977188) is 1-(5-oxopyrrolidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-oxopyrrolidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-oxopyrrolidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)C1CCC(=O)N1.
What is the InChIKey of 1-(5-oxopyrrolidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is ALSLFEMJTZFXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-2-6-13(12(18)19)7-3-8-15(13)11(17)9-4-5-10(16)14-9/h9H,2-8H2,1H3,(H,14,16)(H,18,19).
What are the key properties of 1-(5-oxopyrrolidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(5-oxopyrrolidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxopyrrolidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106977188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).