5-[2-(2-methylpropoxy)ethoxy]piperidine-3-carboxylic acid

C12H23NO4 — CID 106453624

IUPAC5-[2-(2-methylpropoxy)ethoxy]piperidine-3-carboxylic acid
SMILESCC(C)COCCOC1CNCC(C(=O)O)C1
InChIInChI=1S/C12H23NO4/c1-9(2)8-16-3-4-17-11-5-10(12(14)15)6-13-7-11/h9-11,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyVEEMQAGYMNUIGB-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.74
Rot. Bonds7

About 5-[2-(2-methylpropoxy)ethoxy]piperidine-3-carboxylic acid

5-[2-(2-methylpropoxy)ethoxy]piperidine-3-carboxylic acid (PubChem CID 106453624) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-[2-(2-methylpropoxy)ethoxy]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-methylpropoxy)ethoxy]piperidine-3-carboxylic acid
PubChem CID106453624
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name5-[2-(2-methylpropoxy)ethoxy]piperidine-3-carboxylic acid
SMILESCC(C)COCCOC1CNCC(C(=O)O)C1
InChIInChI=1S/C12H23NO4/c1-9(2)8-16-3-4-17-11-5-10(12(14)15)6-13-7-11/h9-11,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyVEEMQAGYMNUIGB-UHFFFAOYSA-N
XLogP0.74
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.74
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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Related Compounds

5-(difluoromethoxy)piperidine-3-carboxylic acid
CID 130804723
4-[2-(2-methylpropoxy)ethoxy]pyrrolidin-3-ol
CID 106447721
5-[2-[cyclopropyl(ethyl)amino]-2-oxoethoxy]piperidine-3-carboxylic acid
CID 114598055
5-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypiperidine-3-carboxylic acid
CID 114598179
2-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine-4-carboxylic acid
CID 106744761
3-(2-methylpropoxy)azetidine;hydrochloride
CID 67154547
2-(2-methylpropoxy)ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 106448237
3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid
CID 87457805
1-(cyclopropylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclopentane-1-carboxylic acid
CID 106448884
3-(2-methylpropoxy)propanoic acid
CID 15033462
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid
CID 175405425
1-cyclohexyl-2-[2-(2-methylpropoxy)ethoxy]ethanone
CID 106448351

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylpropoxy)ethoxy]piperidine-3-carboxylic acid?
The IUPAC name of 5-[2-(2-methylpropoxy)ethoxy]piperidine-3-carboxylic acid (CID 106453624) is 5-[2-(2-methylpropoxy)ethoxy]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-[2-(2-methylpropoxy)ethoxy]piperidine-3-carboxylic acid?
The canonical SMILES for 5-[2-(2-methylpropoxy)ethoxy]piperidine-3-carboxylic acid is CC(C)COCCOC1CNCC(C(=O)O)C1.
What is the InChIKey of 5-[2-(2-methylpropoxy)ethoxy]piperidine-3-carboxylic acid?
The InChIKey is VEEMQAGYMNUIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-9(2)8-16-3-4-17-11-5-10(12(14)15)6-13-7-11/h9-11,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 5-[2-(2-methylpropoxy)ethoxy]piperidine-3-carboxylic acid?
5-[2-(2-methylpropoxy)ethoxy]piperidine-3-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylpropoxy)ethoxy]piperidine-3-carboxylic acid is sourced from PubChem (CID 106453624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).