potassium 2,2-dimethyl-3-morpholin-4-ylpropanoate

C9H16KNO3 — CID 68757651

IUPACpotassium 2,2-dimethyl-3-morpholin-4-ylpropanoate
SMILESCC(C)(CN1CCOCC1)C(=O)[O-].[K+]
InChIInChI=1S/C9H17NO3.K/c1-9(2,8(11)12)7-10-3-5-13-6-4-10;/h3-7H2,1-2H3,(H,11,12);/q;+1/p-1
InChIKeyVYNMFRWMTOVANO-UHFFFAOYSA-M
MW225.33 g/mol
LogP-3.90
Rot. Bonds3

About potassium 2,2-dimethyl-3-morpholin-4-ylpropanoate

potassium 2,2-dimethyl-3-morpholin-4-ylpropanoate (PubChem CID 68757651) has the molecular formula C9H16KNO3 and a molecular weight of 225.33 g/mol. Its IUPAC name is potassium 2,2-dimethyl-3-morpholin-4-ylpropanoate.

Molecular Properties

Compound Namepotassium 2,2-dimethyl-3-morpholin-4-ylpropanoate
PubChem CID68757651
Molecular FormulaC9H16KNO3
Molecular Weight225.33 g/mol
Exact Mass225.08
IUPAC Namepotassium 2,2-dimethyl-3-morpholin-4-ylpropanoate
SMILESCC(C)(CN1CCOCC1)C(=O)[O-].[K+]
InChIInChI=1S/C9H17NO3.K/c1-9(2,8(11)12)7-10-3-5-13-6-4-10;/h3-7H2,1-2H3,(H,11,12);/q;+1/p-1
InChIKeyVYNMFRWMTOVANO-UHFFFAOYSA-M
XLogP-3.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 5-3.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium 2,2-dimethyl-3-morpholin-4-ylpropanoate?
The IUPAC name of potassium 2,2-dimethyl-3-morpholin-4-ylpropanoate (CID 68757651) is potassium 2,2-dimethyl-3-morpholin-4-ylpropanoate.
What is the SMILES notation for potassium 2,2-dimethyl-3-morpholin-4-ylpropanoate?
The canonical SMILES for potassium 2,2-dimethyl-3-morpholin-4-ylpropanoate is CC(C)(CN1CCOCC1)C(=O)[O-].[K+].
What is the InChIKey of potassium 2,2-dimethyl-3-morpholin-4-ylpropanoate?
The InChIKey is VYNMFRWMTOVANO-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H17NO3.K/c1-9(2,8(11)12)7-10-3-5-13-6-4-10;/h3-7H2,1-2H3,(H,11,12);/q;+1/p-1.
What are the key properties of potassium 2,2-dimethyl-3-morpholin-4-ylpropanoate?
potassium 2,2-dimethyl-3-morpholin-4-ylpropanoate has a molecular weight of 225.33 g/mol, XLogP of -3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,2-dimethyl-3-morpholin-4-ylpropanoate is sourced from PubChem (CID 68757651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).