1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid

C13H24N2O5 — CID 104598137

IUPAC1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCOCCOCCNC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-13(11(16)17)5-3-4-7-15(13)12(18)14-6-8-20-10-9-19-2/h3-10H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyMCKJIGAFCLZZIB-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.69
Rot. Bonds7

About 1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid

1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104598137) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104598137
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCOCCOCCNC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-13(11(16)17)5-3-4-7-15(13)12(18)14-6-8-20-10-9-19-2/h3-10H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyMCKJIGAFCLZZIB-UHFFFAOYSA-N
XLogP0.69
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 104595535
1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597979
1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597930
2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid
CID 104598392
1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597783
1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 113495111
2-methyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 104597937
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 113431021
1-[bis(2-methoxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597994
1-(1-methoxypentan-2-ylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104598283
2-methyl-1-(pent-3-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 116644863
2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 103994653

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid (CID 104598137) is 1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid is COCCOCCNC(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is MCKJIGAFCLZZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-13(11(16)17)5-3-4-7-15(13)12(18)14-6-8-20-10-9-19-2/h3-10H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid?
1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 288.34 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104598137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).