1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid

C12H20N2O5 — CID 113431021

IUPAC1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCCOC(=O)CNC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-3-19-9(15)8-13-11(18)14-7-5-4-6-12(14,2)10(16)17/h3-8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyRFBXYPXNLOYPNL-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.59
Rot. Bonds4

About 1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid

1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 113431021) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID113431021
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCCOC(=O)CNC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-3-19-9(15)8-13-11(18)14-7-5-4-6-12(14,2)10(16)17/h3-8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyRFBXYPXNLOYPNL-UHFFFAOYSA-N
XLogP0.59
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid (CID 113431021) is 1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid is CCOC(=O)CNC(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is RFBXYPXNLOYPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-3-19-9(15)8-13-11(18)14-7-5-4-6-12(14,2)10(16)17/h3-8H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 113431021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).