4-(2-oxoethoxy)piperidine-1,4-dicarboxylic acid

C9H13NO6 — CID 87548585

IUPAC4-(2-oxoethoxy)piperidine-1,4-dicarboxylic acid
SMILESO=CCOC1(C(=O)O)CCN(C(=O)O)CC1
InChIInChI=1S/C9H13NO6/c11-5-6-16-9(7(12)13)1-3-10(4-2-9)8(14)15/h5H,1-4,6H2,(H,12,13)(H,14,15)
InChIKeyYMFFAIDGEHQVIM-UHFFFAOYSA-N
MW231.20 g/mol
LogP-0.20
Rot. Bonds4

About 4-(2-oxoethoxy)piperidine-1,4-dicarboxylic acid

4-(2-oxoethoxy)piperidine-1,4-dicarboxylic acid (PubChem CID 87548585) has the molecular formula C9H13NO6 and a molecular weight of 231.20 g/mol. Its IUPAC name is 4-(2-oxoethoxy)piperidine-1,4-dicarboxylic acid.

Molecular Properties

Compound Name4-(2-oxoethoxy)piperidine-1,4-dicarboxylic acid
PubChem CID87548585
Molecular FormulaC9H13NO6
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name4-(2-oxoethoxy)piperidine-1,4-dicarboxylic acid
SMILESO=CCOC1(C(=O)O)CCN(C(=O)O)CC1
InChIInChI=1S/C9H13NO6/c11-5-6-16-9(7(12)13)1-3-10(4-2-9)8(14)15/h5H,1-4,6H2,(H,12,13)(H,14,15)
InChIKeyYMFFAIDGEHQVIM-UHFFFAOYSA-N
XLogP-0.20
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-oxoethoxy)piperidine-1,4-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(chloromethyl)-4-formylpiperidine-1-carboxylic acid
CID 87387809
4-(chloromethyl)piperidine-1,4-dicarboxylic acid
CID 123497269
1-butoxycarbonyl-4-(2-methoxyethoxy)piperidine-4-carboxylic acid
CID 67036881
4-(3-oxopropoxy)piperidine-1-carboxylic acid
CID 176652743
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
4-(bromomethyl)-4-fluoropiperidine-1-carboxylic acid
CID 161175898
1-cyclopropyl-4-ethoxypiperidine-4-carboxylic acid
CID 105466777
4-methyl-4-sulfanylpiperidine-1-carboxylic acid
CID 134329001
4-(4-hydroxy-1-prop-2-enoxycarbonylpiperidin-4-yl)oxane-4-carboxylic acid
CID 167739754
4-ethylazepane-1,4-dicarboxylic acid
CID 123426716
3-prop-2-enoxythiolane-3-carboxylic acid
CID 82238717

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxoethoxy)piperidine-1,4-dicarboxylic acid?
The IUPAC name of 4-(2-oxoethoxy)piperidine-1,4-dicarboxylic acid (CID 87548585) is 4-(2-oxoethoxy)piperidine-1,4-dicarboxylic acid.
What is the SMILES notation for 4-(2-oxoethoxy)piperidine-1,4-dicarboxylic acid?
The canonical SMILES for 4-(2-oxoethoxy)piperidine-1,4-dicarboxylic acid is O=CCOC1(C(=O)O)CCN(C(=O)O)CC1.
What is the InChIKey of 4-(2-oxoethoxy)piperidine-1,4-dicarboxylic acid?
The InChIKey is YMFFAIDGEHQVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO6/c11-5-6-16-9(7(12)13)1-3-10(4-2-9)8(14)15/h5H,1-4,6H2,(H,12,13)(H,14,15).
What are the key properties of 4-(2-oxoethoxy)piperidine-1,4-dicarboxylic acid?
4-(2-oxoethoxy)piperidine-1,4-dicarboxylic acid has a molecular weight of 231.20 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxoethoxy)piperidine-1,4-dicarboxylic acid is sourced from PubChem (CID 87548585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).