1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid

C15H24N2O4 — CID 119355319

IUPAC1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCC(CC)N1CC(C(=O)N2CCC(C(=O)O)C2)CC1=O
InChIInChI=1S/C15H24N2O4/c1-3-12(4-2)17-9-11(7-13(17)18)14(19)16-6-5-10(8-16)15(20)21/h10-12H,3-9H2,1-2H3,(H,20,21)
InChIKeyJSRQWHJVDUVMLA-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.96
Rot. Bonds5

About 1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid

1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 119355319) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID119355319
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCC(CC)N1CC(C(=O)N2CCC(C(=O)O)C2)CC1=O
InChIInChI=1S/C15H24N2O4/c1-3-12(4-2)17-9-11(7-13(17)18)14(19)16-6-5-10(8-16)15(20)21/h10-12H,3-9H2,1-2H3,(H,20,21)
InChIKeyJSRQWHJVDUVMLA-UHFFFAOYSA-N
XLogP0.96
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690219
1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 112826915
1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690197
4-(4-cyclopentylpiperazine-1-carbonyl)-1-pentan-3-ylpyrrolidin-2-one
CID 112826695
(3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124682709
1-butan-2-yl-5-oxopyrrolidine-3-carboxylic acid
CID 4777950
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one
CID 112826883
4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one
CID 119649660
4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one
CID 112826872
1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 119136731
2-[methyl-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 119346721
1-(2-methylpentan-3-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 61469101

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 119355319) is 1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid is CCC(CC)N1CC(C(=O)N2CCC(C(=O)O)C2)CC1=O.
What is the InChIKey of 1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is JSRQWHJVDUVMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-3-12(4-2)17-9-11(7-13(17)18)14(19)16-6-5-10(8-16)15(20)21/h10-12H,3-9H2,1-2H3,(H,20,21).
What are the key properties of 1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119355319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).