2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid

C9H13NO5 — CID 71186618

IUPAC2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid
SMILESCCOC(=O)C1CCCC(=O)N1C(=O)O
InChIInChI=1S/C9H13NO5/c1-2-15-8(12)6-4-3-5-7(11)10(6)9(13)14/h6H,2-5H2,1H3,(H,13,14)
InChIKeyXHYAXDIPVMAVML-UHFFFAOYSA-N
MW215.20 g/mol
LogP0.61
Rot. Bonds2

About 2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid

2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid (PubChem CID 71186618) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid
PubChem CID71186618
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid
SMILESCCOC(=O)C1CCCC(=O)N1C(=O)O
InChIInChI=1S/C9H13NO5/c1-2-15-8(12)6-4-3-5-7(11)10(6)9(13)14/h6H,2-5H2,1H3,(H,13,14)
InChIKeyXHYAXDIPVMAVML-UHFFFAOYSA-N
XLogP0.61
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid?
The IUPAC name of 2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid (CID 71186618) is 2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid.
What is the SMILES notation for 2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid?
The canonical SMILES for 2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid is CCOC(=O)C1CCCC(=O)N1C(=O)O.
What is the InChIKey of 2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid?
The InChIKey is XHYAXDIPVMAVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5/c1-2-15-8(12)6-4-3-5-7(11)10(6)9(13)14/h6H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid?
2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid has a molecular weight of 215.20 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid is sourced from PubChem (CID 71186618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).