1-[2-ethoxyethyl(ethyl)carbamoyl]piperidine-2-carboxylic acid

C13H24N2O4 — CID 55228473

IUPAC1-[2-ethoxyethyl(ethyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCCOCCN(CC)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O4/c1-3-14(9-10-19-4-2)13(18)15-8-6-5-7-11(15)12(16)17/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyAAPVTDKRYBSRJJ-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.40
Rot. Bonds6

About 1-[2-ethoxyethyl(ethyl)carbamoyl]piperidine-2-carboxylic acid

1-[2-ethoxyethyl(ethyl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 55228473) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-[2-ethoxyethyl(ethyl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-ethoxyethyl(ethyl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID55228473
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-[2-ethoxyethyl(ethyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCCOCCN(CC)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O4/c1-3-14(9-10-19-4-2)13(18)15-8-6-5-7-11(15)12(16)17/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyAAPVTDKRYBSRJJ-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195285
1-[bis(2-hydroxyethyl)carbamoyl]azepane-2-carboxylic acid
CID 64564677
1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid
CID 61185364
1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61184167
1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]azepane-2-carboxylic acid
CID 64563520
1-N,1-N-diethylpiperidine-1,2-dicarboxamide
CID 115583146
(2S)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 119366282
(2R)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 119372155
(2R)-1-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922691
1-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61439518
1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]azepane-2-carboxylic acid
CID 64562539
3-cyclopentyl-1-(2-ethoxyethyl)-1-ethylurea
CID 115618266

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethoxyethyl(ethyl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-ethoxyethyl(ethyl)carbamoyl]piperidine-2-carboxylic acid (CID 55228473) is 1-[2-ethoxyethyl(ethyl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-ethoxyethyl(ethyl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-ethoxyethyl(ethyl)carbamoyl]piperidine-2-carboxylic acid is CCOCCN(CC)C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-ethoxyethyl(ethyl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is AAPVTDKRYBSRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-14(9-10-19-4-2)13(18)15-8-6-5-7-11(15)12(16)17/h11H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 1-[2-ethoxyethyl(ethyl)carbamoyl]piperidine-2-carboxylic acid?
1-[2-ethoxyethyl(ethyl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethoxyethyl(ethyl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 55228473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).