(2R)-2-(4-chlorophenyl)-2-morpholin-4-ium-4-ylacetate

C12H14ClNO3 — CID 7219727

IUPAC(2R)-2-(4-chlorophenyl)-2-morpholin-4-ium-4-ylacetate
SMILESO=C([O-])[C@@H](c1ccc(Cl)cc1)[NH+]1CCOCC1
InChIInChI=1S/C12H14ClNO3/c13-10-3-1-9(2-4-10)11(12(15)16)14-5-7-17-8-6-14/h1-4,11H,5-8H2,(H,15,16)/t11-/m1/s1
InChIKeyJPMCHPNNLFZQMS-LLVKDONJSA-N
MW255.70 g/mol
LogP-0.95
Rot. Bonds3

About (2R)-2-(4-chlorophenyl)-2-morpholin-4-ium-4-ylacetate

(2R)-2-(4-chlorophenyl)-2-morpholin-4-ium-4-ylacetate (PubChem CID 7219727) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-2-morpholin-4-ium-4-ylacetate.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-2-morpholin-4-ium-4-ylacetate
PubChem CID7219727
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name(2R)-2-(4-chlorophenyl)-2-morpholin-4-ium-4-ylacetate
SMILESO=C([O-])[C@@H](c1ccc(Cl)cc1)[NH+]1CCOCC1
InChIInChI=1S/C12H14ClNO3/c13-10-3-1-9(2-4-10)11(12(15)16)14-5-7-17-8-6-14/h1-4,11H,5-8H2,(H,15,16)/t11-/m1/s1
InChIKeyJPMCHPNNLFZQMS-LLVKDONJSA-N
XLogP-0.95
TPSA53.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-2-morpholin-4-ium-4-ylacetate?
The IUPAC name of (2R)-2-(4-chlorophenyl)-2-morpholin-4-ium-4-ylacetate (CID 7219727) is (2R)-2-(4-chlorophenyl)-2-morpholin-4-ium-4-ylacetate.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-2-morpholin-4-ium-4-ylacetate?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-2-morpholin-4-ium-4-ylacetate is O=C([O-])[C@@H](c1ccc(Cl)cc1)[NH+]1CCOCC1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-2-morpholin-4-ium-4-ylacetate?
The InChIKey is JPMCHPNNLFZQMS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-10-3-1-9(2-4-10)11(12(15)16)14-5-7-17-8-6-14/h1-4,11H,5-8H2,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-2-morpholin-4-ium-4-ylacetate?
(2R)-2-(4-chlorophenyl)-2-morpholin-4-ium-4-ylacetate has a molecular weight of 255.70 g/mol, XLogP of -0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-2-morpholin-4-ium-4-ylacetate is sourced from PubChem (CID 7219727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).