4-ethoxycarbonyl-4-methylpiperidine-1-carboxylic acid

C10H17NO4 — CID 23079962

IUPAC4-ethoxycarbonyl-4-methylpiperidine-1-carboxylic acid
SMILESCCOC(=O)C1(C)CCN(C(=O)O)CC1
InChIInChI=1S/C10H17NO4/c1-3-15-8(12)10(2)4-6-11(7-5-10)9(13)14/h3-7H2,1-2H3,(H,13,14)
InChIKeyMLTQGWUDMFKVAN-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.33
Rot. Bonds2

About 4-ethoxycarbonyl-4-methylpiperidine-1-carboxylic acid

4-ethoxycarbonyl-4-methylpiperidine-1-carboxylic acid (PubChem CID 23079962) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-ethoxycarbonyl-4-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-ethoxycarbonyl-4-methylpiperidine-1-carboxylic acid
PubChem CID23079962
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-ethoxycarbonyl-4-methylpiperidine-1-carboxylic acid
SMILESCCOC(=O)C1(C)CCN(C(=O)O)CC1
InChIInChI=1S/C10H17NO4/c1-3-15-8(12)10(2)4-6-11(7-5-10)9(13)14/h3-7H2,1-2H3,(H,13,14)
InChIKeyMLTQGWUDMFKVAN-UHFFFAOYSA-N
XLogP1.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxycarbonyl-4-methylpiperidine-1-carboxylic acid?
The IUPAC name of 4-ethoxycarbonyl-4-methylpiperidine-1-carboxylic acid (CID 23079962) is 4-ethoxycarbonyl-4-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-ethoxycarbonyl-4-methylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-ethoxycarbonyl-4-methylpiperidine-1-carboxylic acid is CCOC(=O)C1(C)CCN(C(=O)O)CC1.
What is the InChIKey of 4-ethoxycarbonyl-4-methylpiperidine-1-carboxylic acid?
The InChIKey is MLTQGWUDMFKVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-15-8(12)10(2)4-6-11(7-5-10)9(13)14/h3-7H2,1-2H3,(H,13,14).
What are the key properties of 4-ethoxycarbonyl-4-methylpiperidine-1-carboxylic acid?
4-ethoxycarbonyl-4-methylpiperidine-1-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxycarbonyl-4-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 23079962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).