methyl 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]morpholine-3-carboxylate

C15H26N2O4 — CID 104774843

IUPACmethyl 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)C(C)N1C(C)CCC1C
InChIInChI=1S/C15H26N2O4/c1-10-5-6-11(2)17(10)12(3)14(18)16-7-8-21-9-13(16)15(19)20-4/h10-13H,5-9H2,1-4H3
InChIKeyJPKKRLISHDAVFH-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.65
Rot. Bonds3

About methyl 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]morpholine-3-carboxylate

methyl 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]morpholine-3-carboxylate (PubChem CID 104774843) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is methyl 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]morpholine-3-carboxylate
PubChem CID104774843
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Namemethyl 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)C(C)N1C(C)CCC1C
InChIInChI=1S/C15H26N2O4/c1-10-5-6-11(2)17(10)12(3)14(18)16-7-8-21-9-13(16)15(19)20-4/h10-13H,5-9H2,1-4H3
InChIKeyJPKKRLISHDAVFH-UHFFFAOYSA-N
XLogP0.65
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]morpholine-3-carboxylate (CID 104774843) is methyl 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)C(C)N1C(C)CCC1C.
What is the InChIKey of methyl 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]morpholine-3-carboxylate?
The InChIKey is JPKKRLISHDAVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10-5-6-11(2)17(10)12(3)14(18)16-7-8-21-9-13(16)15(19)20-4/h10-13H,5-9H2,1-4H3.
What are the key properties of methyl 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]morpholine-3-carboxylate?
methyl 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]morpholine-3-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]morpholine-3-carboxylate is sourced from PubChem (CID 104774843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).