5-oxo-4-(1-propan-2-ylpiperidin-4-yl)morpholine-3-carboxylic acid

C13H22N2O4 — CID 115102604

IUPAC5-oxo-4-(1-propan-2-ylpiperidin-4-yl)morpholine-3-carboxylic acid
SMILESCC(C)N1CCC(N2C(=O)COCC2C(=O)O)CC1
InChIInChI=1S/C13H22N2O4/c1-9(2)14-5-3-10(4-6-14)15-11(13(17)18)7-19-8-12(15)16/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyWVSWUBRKZJXMCY-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.17
Rot. Bonds3

About 5-oxo-4-(1-propan-2-ylpiperidin-4-yl)morpholine-3-carboxylic acid

5-oxo-4-(1-propan-2-ylpiperidin-4-yl)morpholine-3-carboxylic acid (PubChem CID 115102604) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-oxo-4-(1-propan-2-ylpiperidin-4-yl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-4-(1-propan-2-ylpiperidin-4-yl)morpholine-3-carboxylic acid
PubChem CID115102604
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name5-oxo-4-(1-propan-2-ylpiperidin-4-yl)morpholine-3-carboxylic acid
SMILESCC(C)N1CCC(N2C(=O)COCC2C(=O)O)CC1
InChIInChI=1S/C13H22N2O4/c1-9(2)14-5-3-10(4-6-14)15-11(13(17)18)7-19-8-12(15)16/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyWVSWUBRKZJXMCY-UHFFFAOYSA-N
XLogP0.17
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid
CID 115102665
4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid
CID 115102666
5-oxo-4-phosphanylmorpholine-3-carboxylic acid
CID 20828180
1-(1-propan-2-ylpiperidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 66470135
4-[(1-methylpiperidin-4-yl)methyl]-5-oxomorpholine-3-carboxylic acid
CID 115102644
(5R)-5-(hydroxymethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 115056585
3-(4-cyclopropyl-5-oxomorpholin-3-yl)propanoic acid
CID 115060435
3-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 115006183
1-(1-propan-2-ylpyrrolidin-3-yl)azepane-2-carboxylic acid
CID 65069569
(3S,8S)-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxylic acid
CID 45082702
4-chloro-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 168687301
(2S)-1-cyclobutyl-5-oxopyrrolidine-2-carboxylic acid
CID 67462914

Frequently Asked Questions

What is the IUPAC name of 5-oxo-4-(1-propan-2-ylpiperidin-4-yl)morpholine-3-carboxylic acid?
The IUPAC name of 5-oxo-4-(1-propan-2-ylpiperidin-4-yl)morpholine-3-carboxylic acid (CID 115102604) is 5-oxo-4-(1-propan-2-ylpiperidin-4-yl)morpholine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-4-(1-propan-2-ylpiperidin-4-yl)morpholine-3-carboxylic acid?
The canonical SMILES for 5-oxo-4-(1-propan-2-ylpiperidin-4-yl)morpholine-3-carboxylic acid is CC(C)N1CCC(N2C(=O)COCC2C(=O)O)CC1.
What is the InChIKey of 5-oxo-4-(1-propan-2-ylpiperidin-4-yl)morpholine-3-carboxylic acid?
The InChIKey is WVSWUBRKZJXMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9(2)14-5-3-10(4-6-14)15-11(13(17)18)7-19-8-12(15)16/h9-11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 5-oxo-4-(1-propan-2-ylpiperidin-4-yl)morpholine-3-carboxylic acid?
5-oxo-4-(1-propan-2-ylpiperidin-4-yl)morpholine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4-(1-propan-2-ylpiperidin-4-yl)morpholine-3-carboxylic acid is sourced from PubChem (CID 115102604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).