1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid

C13H22N2O4 — CID 55230340

IUPAC1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)N2CCOCC2(C)C)CC1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-9-6-14(7-10(9)11(16)17)12(18)15-4-5-19-8-13(15,2)3/h9-10H,4-8H2,1-3H3,(H,16,17)
InChIKeyZMYSIAZXIUUYEE-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.87
Rot. Bonds1

About 1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid

1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 55230340) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID55230340
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)N2CCOCC2(C)C)CC1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-9-6-14(7-10(9)11(16)17)12(18)15-4-5-19-8-13(15,2)3/h9-10H,4-8H2,1-3H3,(H,16,17)
InChIKeyZMYSIAZXIUUYEE-UHFFFAOYSA-N
XLogP0.87
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 98539048
(3,3-dimethylmorpholin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 116654559
(3,3-dimethylmorpholin-4-yl)-piperidin-1-ylmethanone
CID 115592934
1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63124235
1-(3,3-dimethylmorpholine-4-carbonyl)-4-ethylpiperidine-4-carboxylic acid
CID 63127056
(2R)-1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 55149679
4-methyl-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 102744923
(2R,5S)-5-(3,3-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid
CID 102945062
2-(3,3-dimethylmorpholine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102889976
1-(3,3-dimethylmorpholine-4-carbonyl)-4-(2-methylpropyl)piperidine-4-carboxylic acid
CID 166279333
(3S,4S)-4-methyl-1-(4-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120952745
(3S,4S)-4-methyl-1-(2-methyl-1,4-oxazepane-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 114085920

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid (CID 55230340) is 1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid is CC1CN(C(=O)N2CCOCC2(C)C)CC1C(=O)O.
What is the InChIKey of 1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is ZMYSIAZXIUUYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9-6-14(7-10(9)11(16)17)12(18)15-4-5-19-8-13(15,2)3/h9-10H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55230340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).