1-(2,5-dioxo-1-propylpyrrolidin-3-yl)piperidine-2-carboxylic acid

C13H20N2O4 — CID 43638751

IUPAC1-(2,5-dioxo-1-propylpyrrolidin-3-yl)piperidine-2-carboxylic acid
SMILESCCCN1C(=O)CC(N2CCCCC2C(=O)O)C1=O
InChIInChI=1S/C13H20N2O4/c1-2-6-15-11(16)8-10(12(15)17)14-7-4-3-5-9(14)13(18)19/h9-10H,2-8H2,1H3,(H,18,19)
InChIKeyXGROWGBHFVZWAQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.46
Rot. Bonds4

About 1-(2,5-dioxo-1-propylpyrrolidin-3-yl)piperidine-2-carboxylic acid

1-(2,5-dioxo-1-propylpyrrolidin-3-yl)piperidine-2-carboxylic acid (PubChem CID 43638751) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-(2,5-dioxo-1-propylpyrrolidin-3-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dioxo-1-propylpyrrolidin-3-yl)piperidine-2-carboxylic acid
PubChem CID43638751
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-(2,5-dioxo-1-propylpyrrolidin-3-yl)piperidine-2-carboxylic acid
SMILESCCCN1C(=O)CC(N2CCCCC2C(=O)O)C1=O
InChIInChI=1S/C13H20N2O4/c1-2-6-15-11(16)8-10(12(15)17)14-7-4-3-5-9(14)13(18)19/h9-10H,2-8H2,1H3,(H,18,19)
InChIKeyXGROWGBHFVZWAQ-UHFFFAOYSA-N
XLogP0.46
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid
CID 43638750
3-(1,4-diazepan-1-yl)-1-propylpyrrolidine-2,5-dione
CID 43636514
(2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid
CID 68690983
(2R)-1-butylpiperidine-2-carboxylic acid
CID 40787093
(2S)-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylic acid
CID 66263121
2-[1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidin-2-yl]acetic acid
CID 61010572
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
1-(1-methylpyrrolidin-3-yl)piperidine-2-carboxylic acid
CID 65053957
3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione
CID 2987252
tert-butyl (2S)-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate
CID 107358215
1-(4-ethylcycloheptyl)piperidine-2-carboxylic acid
CID 65087297
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetamide
CID 43636128

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxo-1-propylpyrrolidin-3-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2,5-dioxo-1-propylpyrrolidin-3-yl)piperidine-2-carboxylic acid (CID 43638751) is 1-(2,5-dioxo-1-propylpyrrolidin-3-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,5-dioxo-1-propylpyrrolidin-3-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2,5-dioxo-1-propylpyrrolidin-3-yl)piperidine-2-carboxylic acid is CCCN1C(=O)CC(N2CCCCC2C(=O)O)C1=O.
What is the InChIKey of 1-(2,5-dioxo-1-propylpyrrolidin-3-yl)piperidine-2-carboxylic acid?
The InChIKey is XGROWGBHFVZWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-2-6-15-11(16)8-10(12(15)17)14-7-4-3-5-9(14)13(18)19/h9-10H,2-8H2,1H3,(H,18,19).
What are the key properties of 1-(2,5-dioxo-1-propylpyrrolidin-3-yl)piperidine-2-carboxylic acid?
1-(2,5-dioxo-1-propylpyrrolidin-3-yl)piperidine-2-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxo-1-propylpyrrolidin-3-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43638751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).