1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-4-carboxylic acid

C11H20N2O4 — CID 39348158

IUPAC1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
SMILESCOCCNC(=O)CN1CCC(C(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c1-17-7-4-12-10(14)8-13-5-2-9(3-6-13)11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16)
InChIKeyCAPNOZPMDMNGEN-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.45
Rot. Bonds6

About 1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-4-carboxylic acid

1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-4-carboxylic acid (PubChem CID 39348158) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
PubChem CID39348158
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
SMILESCOCCNC(=O)CN1CCC(C(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c1-17-7-4-12-10(14)8-13-5-2-9(3-6-13)11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16)
InChIKeyCAPNOZPMDMNGEN-UHFFFAOYSA-N
XLogP-0.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-4-carboxylic acid (CID 39348158) is 1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-4-carboxylic acid is COCCNC(=O)CN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-4-carboxylic acid?
The InChIKey is CAPNOZPMDMNGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-17-7-4-12-10(14)8-13-5-2-9(3-6-13)11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-4-carboxylic acid?
1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-4-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 39348158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).