bis(2-methylpropyl) pyrrolidine-1,2-dicarboxylate

C14H25NO4 — CID 6424619

IUPACbis(2-methylpropyl) pyrrolidine-1,2-dicarboxylate
SMILESCC(C)COC(=O)C1CCCN1C(=O)OCC(C)C
InChIInChI=1S/C14H25NO4/c1-10(2)8-18-13(16)12-6-5-7-15(12)14(17)19-9-11(3)4/h10-12H,5-9H2,1-4H3
InChIKeySYSVHEAIUFHSTD-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.44
Rot. Bonds5

About bis(2-methylpropyl) pyrrolidine-1,2-dicarboxylate

bis(2-methylpropyl) pyrrolidine-1,2-dicarboxylate (PubChem CID 6424619) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is bis(2-methylpropyl) pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(2-methylpropyl) pyrrolidine-1,2-dicarboxylate
PubChem CID6424619
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namebis(2-methylpropyl) pyrrolidine-1,2-dicarboxylate
SMILESCC(C)COC(=O)C1CCCN1C(=O)OCC(C)C
InChIInChI=1S/C14H25NO4/c1-10(2)8-18-13(16)12-6-5-7-15(12)14(17)19-9-11(3)4/h10-12H,5-9H2,1-4H3
InChIKeySYSVHEAIUFHSTD-UHFFFAOYSA-N
XLogP2.44
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl) pyrrolidine-1,2-dicarboxylate?
The IUPAC name of bis(2-methylpropyl) pyrrolidine-1,2-dicarboxylate (CID 6424619) is bis(2-methylpropyl) pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for bis(2-methylpropyl) pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for bis(2-methylpropyl) pyrrolidine-1,2-dicarboxylate is CC(C)COC(=O)C1CCCN1C(=O)OCC(C)C.
What is the InChIKey of bis(2-methylpropyl) pyrrolidine-1,2-dicarboxylate?
The InChIKey is SYSVHEAIUFHSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(2)8-18-13(16)12-6-5-7-15(12)14(17)19-9-11(3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of bis(2-methylpropyl) pyrrolidine-1,2-dicarboxylate?
bis(2-methylpropyl) pyrrolidine-1,2-dicarboxylate has a molecular weight of 271.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl) pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 6424619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).