4-ethylmorpholine-2-carboxylic acid;hydrochloride

C7H14ClNO3 — CID 54595624

IUPAC4-ethylmorpholine-2-carboxylic acid;hydrochloride
SMILESCCN1CCOC(C(=O)O)C1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-2-8-3-4-11-6(5-8)7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H
InChIKeyVJUXRLUXLJLQGZ-UHFFFAOYSA-N
MW195.65 g/mol
LogP0.21
Rot. Bonds2

About 4-ethylmorpholine-2-carboxylic acid;hydrochloride

4-ethylmorpholine-2-carboxylic acid;hydrochloride (PubChem CID 54595624) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 4-ethylmorpholine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-ethylmorpholine-2-carboxylic acid;hydrochloride
PubChem CID54595624
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Name4-ethylmorpholine-2-carboxylic acid;hydrochloride
SMILESCCN1CCOC(C(=O)O)C1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-2-8-3-4-11-6(5-8)7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H
InChIKeyVJUXRLUXLJLQGZ-UHFFFAOYSA-N
XLogP0.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylmorpholine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-ethylmorpholine-2-carboxylic acid;hydrochloride (CID 54595624) is 4-ethylmorpholine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-ethylmorpholine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-ethylmorpholine-2-carboxylic acid;hydrochloride is CCN1CCOC(C(=O)O)C1.Cl.
What is the InChIKey of 4-ethylmorpholine-2-carboxylic acid;hydrochloride?
The InChIKey is VJUXRLUXLJLQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-2-8-3-4-11-6(5-8)7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H.
What are the key properties of 4-ethylmorpholine-2-carboxylic acid;hydrochloride?
4-ethylmorpholine-2-carboxylic acid;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylmorpholine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 54595624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).