ethyl 2-morpholin-4-ium-3-ylacetate chloride

C8H16ClNO3 — CID 11789039

IUPACethyl 2-morpholin-4-ium-3-ylacetate chloride
SMILESCCOC(=O)CC1COCC[NH2+]1.[Cl-]
InChIInChI=1S/C8H15NO3.ClH/c1-2-12-8(10)5-7-6-11-4-3-9-7;/h7,9H,2-6H2,1H3;1H
InChIKeyUSLTXATUKZUDJE-UHFFFAOYSA-N
MW209.67 g/mol
LogP-4.09
Rot. Bonds3

About ethyl 2-morpholin-4-ium-3-ylacetate chloride

ethyl 2-morpholin-4-ium-3-ylacetate chloride (PubChem CID 11789039) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is ethyl 2-morpholin-4-ium-3-ylacetate chloride.

Molecular Properties

Compound Nameethyl 2-morpholin-4-ium-3-ylacetate chloride
PubChem CID11789039
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Nameethyl 2-morpholin-4-ium-3-ylacetate chloride
SMILESCCOC(=O)CC1COCC[NH2+]1.[Cl-]
InChIInChI=1S/C8H15NO3.ClH/c1-2-12-8(10)5-7-6-11-4-3-9-7;/h7,9H,2-6H2,1H3;1H
InChIKeyUSLTXATUKZUDJE-UHFFFAOYSA-N
XLogP-4.09
TPSA52.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 5-4.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-morpholin-4-ium-3-ylacetate chloride?
The IUPAC name of ethyl 2-morpholin-4-ium-3-ylacetate chloride (CID 11789039) is ethyl 2-morpholin-4-ium-3-ylacetate chloride.
What is the SMILES notation for ethyl 2-morpholin-4-ium-3-ylacetate chloride?
The canonical SMILES for ethyl 2-morpholin-4-ium-3-ylacetate chloride is CCOC(=O)CC1COCC[NH2+]1.[Cl-].
What is the InChIKey of ethyl 2-morpholin-4-ium-3-ylacetate chloride?
The InChIKey is USLTXATUKZUDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c1-2-12-8(10)5-7-6-11-4-3-9-7;/h7,9H,2-6H2,1H3;1H.
What are the key properties of ethyl 2-morpholin-4-ium-3-ylacetate chloride?
ethyl 2-morpholin-4-ium-3-ylacetate chloride has a molecular weight of 209.67 g/mol, XLogP of -4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-morpholin-4-ium-3-ylacetate chloride is sourced from PubChem (CID 11789039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).