1-ethoxycarbonylpiperidine-4-carboxylic acid

C9H15NO4 — CID 6618886

IUPAC1-ethoxycarbonylpiperidine-4-carboxylic acid
SMILESCCOC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C9H15NO4/c1-2-14-9(13)10-5-3-7(4-6-10)8(11)12/h7H,2-6H2,1H3,(H,11,12)
InChIKeyBVEBMPFJSMEGJX-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.94
Rot. Bonds2

About 1-ethoxycarbonylpiperidine-4-carboxylic acid

1-ethoxycarbonylpiperidine-4-carboxylic acid (PubChem CID 6618886) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-ethoxycarbonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-ethoxycarbonylpiperidine-4-carboxylic acid
PubChem CID6618886
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-ethoxycarbonylpiperidine-4-carboxylic acid
SMILESCCOC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C9H15NO4/c1-2-14-9(13)10-5-3-7(4-6-10)8(11)12/h7H,2-6H2,1H3,(H,11,12)
InChIKeyBVEBMPFJSMEGJX-UHFFFAOYSA-N
XLogP0.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxycarbonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-ethoxycarbonylpiperidine-4-carboxylic acid (CID 6618886) is 1-ethoxycarbonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-ethoxycarbonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-ethoxycarbonylpiperidine-4-carboxylic acid is CCOC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-ethoxycarbonylpiperidine-4-carboxylic acid?
The InChIKey is BVEBMPFJSMEGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-14-9(13)10-5-3-7(4-6-10)8(11)12/h7H,2-6H2,1H3,(H,11,12).
What are the key properties of 1-ethoxycarbonylpiperidine-4-carboxylic acid?
1-ethoxycarbonylpiperidine-4-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxycarbonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 6618886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).