4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]morpholine-2-carboxylic acid

C13H23N3O4 — CID 81475507

IUPAC4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]morpholine-2-carboxylic acid
SMILESCC1CN(C(=O)N2CCOC(C(=O)O)C2)CC1N(C)C
InChIInChI=1S/C13H23N3O4/c1-9-6-16(7-10(9)14(2)3)13(19)15-4-5-20-11(8-15)12(17)18/h9-11H,4-8H2,1-3H3,(H,17,18)
InChIKeyCAXLJXHTCNKQCG-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.23
Rot. Bonds2

About 4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]morpholine-2-carboxylic acid

4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]morpholine-2-carboxylic acid (PubChem CID 81475507) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]morpholine-2-carboxylic acid
PubChem CID81475507
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]morpholine-2-carboxylic acid
SMILESCC1CN(C(=O)N2CCOC(C(=O)O)C2)CC1N(C)C
InChIInChI=1S/C13H23N3O4/c1-9-6-16(7-10(9)14(2)3)13(19)15-4-5-20-11(8-15)12(17)18/h9-11H,4-8H2,1-3H3,(H,17,18)
InChIKeyCAXLJXHTCNKQCG-UHFFFAOYSA-N
XLogP-0.23
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]morpholine-2-carboxylic acid (CID 81475507) is 4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]morpholine-2-carboxylic acid is CC1CN(C(=O)N2CCOC(C(=O)O)C2)CC1N(C)C.
What is the InChIKey of 4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is CAXLJXHTCNKQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-9-6-16(7-10(9)14(2)3)13(19)15-4-5-20-11(8-15)12(17)18/h9-11H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]morpholine-2-carboxylic acid?
4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 81475507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).