1-O-(2-methylpropyl) 2-O-nonyl pyrrolidine-1,2-dicarboxylate

C19H35NO4 — CID 6424621

IUPAC1-O-(2-methylpropyl) 2-O-nonyl pyrrolidine-1,2-dicarboxylate
SMILESCCCCCCCCCOC(=O)C1CCCN1C(=O)OCC(C)C
InChIInChI=1S/C19H35NO4/c1-4-5-6-7-8-9-10-14-23-18(21)17-12-11-13-20(17)19(22)24-15-16(2)3/h16-17H,4-15H2,1-3H3
InChIKeyUASURGJVAJOLKX-UHFFFAOYSA-N
MW341.49 g/mol
LogP4.54
Rot. Bonds11

About 1-O-(2-methylpropyl) 2-O-nonyl pyrrolidine-1,2-dicarboxylate

1-O-(2-methylpropyl) 2-O-nonyl pyrrolidine-1,2-dicarboxylate (PubChem CID 6424621) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is 1-O-(2-methylpropyl) 2-O-nonyl pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-(2-methylpropyl) 2-O-nonyl pyrrolidine-1,2-dicarboxylate
PubChem CID6424621
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Name1-O-(2-methylpropyl) 2-O-nonyl pyrrolidine-1,2-dicarboxylate
SMILESCCCCCCCCCOC(=O)C1CCCN1C(=O)OCC(C)C
InChIInChI=1S/C19H35NO4/c1-4-5-6-7-8-9-10-14-23-18(21)17-12-11-13-20(17)19(22)24-15-16(2)3/h16-17H,4-15H2,1-3H3
InChIKeyUASURGJVAJOLKX-UHFFFAOYSA-N
XLogP4.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-O-(2-methylpropyl) 2-O-nonyl pyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-(2-methylpropyl) 2-O-nonyl pyrrolidine-1,2-dicarboxylate (CID 6424621) is 1-O-(2-methylpropyl) 2-O-nonyl pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-(2-methylpropyl) 2-O-nonyl pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-(2-methylpropyl) 2-O-nonyl pyrrolidine-1,2-dicarboxylate is CCCCCCCCCOC(=O)C1CCCN1C(=O)OCC(C)C.
What is the InChIKey of 1-O-(2-methylpropyl) 2-O-nonyl pyrrolidine-1,2-dicarboxylate?
The InChIKey is UASURGJVAJOLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO4/c1-4-5-6-7-8-9-10-14-23-18(21)17-12-11-13-20(17)19(22)24-15-16(2)3/h16-17H,4-15H2,1-3H3.
What are the key properties of 1-O-(2-methylpropyl) 2-O-nonyl pyrrolidine-1,2-dicarboxylate?
1-O-(2-methylpropyl) 2-O-nonyl pyrrolidine-1,2-dicarboxylate has a molecular weight of 341.49 g/mol, XLogP of 4.54, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(2-methylpropyl) 2-O-nonyl pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 6424621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).