1-(2-ethoxyacetyl)-4-ethylpiperidine-2-carboxylic acid

C12H21NO4 — CID 114426976

IUPAC1-(2-ethoxyacetyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCOCC(=O)N1CCC(CC)CC1C(=O)O
InChIInChI=1S/C12H21NO4/c1-3-9-5-6-13(10(7-9)12(15)16)11(14)8-17-4-2/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyMTYJWYIGXAIWNF-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.12
Rot. Bonds5

About 1-(2-ethoxyacetyl)-4-ethylpiperidine-2-carboxylic acid

1-(2-ethoxyacetyl)-4-ethylpiperidine-2-carboxylic acid (PubChem CID 114426976) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-(2-ethoxyacetyl)-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxyacetyl)-4-ethylpiperidine-2-carboxylic acid
PubChem CID114426976
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name1-(2-ethoxyacetyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCOCC(=O)N1CCC(CC)CC1C(=O)O
InChIInChI=1S/C12H21NO4/c1-3-9-5-6-13(10(7-9)12(15)16)11(14)8-17-4-2/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyMTYJWYIGXAIWNF-UHFFFAOYSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyacetyl)-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-ethoxyacetyl)-4-ethylpiperidine-2-carboxylic acid (CID 114426976) is 1-(2-ethoxyacetyl)-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxyacetyl)-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-ethoxyacetyl)-4-ethylpiperidine-2-carboxylic acid is CCOCC(=O)N1CCC(CC)CC1C(=O)O.
What is the InChIKey of 1-(2-ethoxyacetyl)-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is MTYJWYIGXAIWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-9-5-6-13(10(7-9)12(15)16)11(14)8-17-4-2/h9-10H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 1-(2-ethoxyacetyl)-4-ethylpiperidine-2-carboxylic acid?
1-(2-ethoxyacetyl)-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyacetyl)-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114426976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).