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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Related Compounds

methyl 2,2-dimethyl-3-(1,4-oxazepan-4-yl)propanoate
CID 79620916
2-methyl-2-morpholin-4-ylpropanoate
CID 25219445
(E)-1-[4-[(E)-4,4-dimethyl-5-morpholin-4-yl-3-oxopent-1-enyl]phenyl]-4,4-dimethyl-5-morpholin-4-ylpent-1-en-3-one;hydrobromide
CID 5386920
1,2-dimorpholin-4-ylpropan-2-ol
CID 154210663
N,N-bis(2,2-dimethyl-3-morpholin-4-ylpropyl)acetamide
CID 100937943
2-methyl-1-morpholin-4-ylpropan-2-amine;dihydrochloride
CID 118511951
2-methyl-1-(1,4-oxazepan-4-yl)propan-2-ol
CID 62972933
tert-butyl 2-[7,13,16-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,10-dioxa-4,7,13,16-tetrazacyclooctadec-4-yl]acetate;ethane
CID 156838383
2,2-dimethyl-6-morpholin-4-ylhexanoic acid
CID 106713869
2,2-dimethyl-5-morpholin-4-ylpentanoic acid
CID 65254938
1,2-dimorpholin-4-ylpropan-2-amine
CID 57479397
2-[13-(carboxylatomethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetate;nickel(2+);dihydrate
CID 139142546

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).