5-[[ethyl(2-methoxyethyl)amino]methyl]oxolane-2-carboxylic acid

C11H21NO4 — CID 62298724

IUPAC5-[[ethyl(2-methoxyethyl)amino]methyl]oxolane-2-carboxylic acid
SMILESCCN(CCOC)CC1CCC(C(=O)O)O1
InChIInChI=1S/C11H21NO4/c1-3-12(6-7-15-2)8-9-4-5-10(16-9)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyOTAFALBATMTFFB-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.59
Rot. Bonds7

About 5-[[ethyl(2-methoxyethyl)amino]methyl]oxolane-2-carboxylic acid

5-[[ethyl(2-methoxyethyl)amino]methyl]oxolane-2-carboxylic acid (PubChem CID 62298724) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 5-[[ethyl(2-methoxyethyl)amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[ethyl(2-methoxyethyl)amino]methyl]oxolane-2-carboxylic acid
PubChem CID62298724
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name5-[[ethyl(2-methoxyethyl)amino]methyl]oxolane-2-carboxylic acid
SMILESCCN(CCOC)CC1CCC(C(=O)O)O1
InChIInChI=1S/C11H21NO4/c1-3-12(6-7-15-2)8-9-4-5-10(16-9)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyOTAFALBATMTFFB-UHFFFAOYSA-N
XLogP0.59
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2-methoxyethyl)amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[ethyl(2-methoxyethyl)amino]methyl]oxolane-2-carboxylic acid (CID 62298724) is 5-[[ethyl(2-methoxyethyl)amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[ethyl(2-methoxyethyl)amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[ethyl(2-methoxyethyl)amino]methyl]oxolane-2-carboxylic acid is CCN(CCOC)CC1CCC(C(=O)O)O1.
What is the InChIKey of 5-[[ethyl(2-methoxyethyl)amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is OTAFALBATMTFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-3-12(6-7-15-2)8-9-4-5-10(16-9)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 5-[[ethyl(2-methoxyethyl)amino]methyl]oxolane-2-carboxylic acid?
5-[[ethyl(2-methoxyethyl)amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2-methoxyethyl)amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 62298724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).