3-[[ethyl(2-methoxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid

C11H20N2O5 — CID 64894088

IUPAC3-[[ethyl(2-methoxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCN(CCOC)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H20N2O5/c1-3-13(5-7-17-2)10(16)12-11(9(14)15)4-6-18-8-11/h3-8H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyTWUHBBLYOXHAMR-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.09
Rot. Bonds6

About 3-[[ethyl(2-methoxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid

3-[[ethyl(2-methoxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 64894088) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[[ethyl(2-methoxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[ethyl(2-methoxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID64894088
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name3-[[ethyl(2-methoxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCN(CCOC)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H20N2O5/c1-3-13(5-7-17-2)10(16)12-11(9(14)15)4-6-18-8-11/h3-8H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyTWUHBBLYOXHAMR-UHFFFAOYSA-N
XLogP-0.09
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(2-methoxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[ethyl(2-methoxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 64894088) is 3-[[ethyl(2-methoxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[ethyl(2-methoxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[ethyl(2-methoxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid is CCN(CCOC)C(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[ethyl(2-methoxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is TWUHBBLYOXHAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-3-13(5-7-17-2)10(16)12-11(9(14)15)4-6-18-8-11/h3-8H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 3-[[ethyl(2-methoxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
3-[[ethyl(2-methoxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(2-methoxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64894088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).