2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid

C13H22N2O4 — CID 120974465

IUPAC2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCCN(CC)C(=O)CN(C)C(=O)C1CCC1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-4-15(5-2)11(16)8-14(3)12(17)9-6-7-10(9)13(18)19/h9-10H,4-8H2,1-3H3,(H,18,19)
InChIKeyZGBJAYVRIKXSFX-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.42
Rot. Bonds6

About 2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid

2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120974465) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120974465
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCCN(CC)C(=O)CN(C)C(=O)C1CCC1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-4-15(5-2)11(16)8-14(3)12(17)9-6-7-10(9)13(18)19/h9-10H,4-8H2,1-3H3,(H,18,19)
InChIKeyZGBJAYVRIKXSFX-UHFFFAOYSA-N
XLogP0.42
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120974465) is 2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid is CCN(CC)C(=O)CN(C)C(=O)C1CCC1C(=O)O.
What is the InChIKey of 2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is ZGBJAYVRIKXSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-4-15(5-2)11(16)8-14(3)12(17)9-6-7-10(9)13(18)19/h9-10H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120974465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).