1-(1-ethoxycarbonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid

C13H20N2O5 — CID 24704485

IUPAC1-(1-ethoxycarbonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCCOC(=O)N1CCC(N2CC(C(=O)O)CC2=O)CC1
InChIInChI=1S/C13H20N2O5/c1-2-20-13(19)14-5-3-10(4-6-14)15-8-9(12(17)18)7-11(15)16/h9-10H,2-8H2,1H3,(H,17,18)
InChIKeyUWVKDVWSNDMFSR-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.54
Rot. Bonds3

About 1-(1-ethoxycarbonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid

1-(1-ethoxycarbonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 24704485) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-(1-ethoxycarbonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-ethoxycarbonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID24704485
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name1-(1-ethoxycarbonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCCOC(=O)N1CCC(N2CC(C(=O)O)CC2=O)CC1
InChIInChI=1S/C13H20N2O5/c1-2-20-13(19)14-5-3-10(4-6-14)15-8-9(12(17)18)7-11(15)16/h9-10H,2-8H2,1H3,(H,17,18)
InChIKeyUWVKDVWSNDMFSR-UHFFFAOYSA-N
XLogP0.54
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Oxan-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 43609553
1-[1-(tert-Butoxycarbonyl)-4-piperidinyl]-5-oxo-3-pyrrolidinecarboxylic acid
CID 18526034
1-(3-Morpholin-4-yl-propyl)-5-oxo-pyrrolidine-3-carboxylic acid
CID 3146691
(3S,4R)-4-(morpholine-4-carbonyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 110203758
tert-butyl 4-[(4S)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 42544012
3-Fluoro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrolidine-3-carboxylic acid
CID 115053517
5-Oxo-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid
CID 165920668
1-[3-(4-Isopropylpiperazin-1-YL)-3-oxopropyl]-5-oxopyrrolidine-3-carboxylic acid
CID 50962989
5-Oxo-1-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 50972184
5-Oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid
CID 20556287
Methyl 1-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxylate
CID 20556289
1-(1-Methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 42656792

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycarbonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-ethoxycarbonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid (CID 24704485) is 1-(1-ethoxycarbonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-ethoxycarbonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-ethoxycarbonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid is CCOC(=O)N1CCC(N2CC(C(=O)O)CC2=O)CC1.
What is the InChIKey of 1-(1-ethoxycarbonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is UWVKDVWSNDMFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-2-20-13(19)14-5-3-10(4-6-14)15-8-9(12(17)18)7-11(15)16/h9-10H,2-8H2,1H3,(H,17,18).
What are the key properties of 1-(1-ethoxycarbonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
1-(1-ethoxycarbonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycarbonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 24704485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).