propan-2-yl 1-dodecanoyl-5-oxopyrrolidine-2-carboxylate

C20H35NO4 — CID 68778247

IUPACpropan-2-yl 1-dodecanoyl-5-oxopyrrolidine-2-carboxylate
SMILESCCCCCCCCCCCC(=O)N1C(=O)CCC1C(=O)OC(C)C
InChIInChI=1S/C20H35NO4/c1-4-5-6-7-8-9-10-11-12-13-18(22)21-17(14-15-19(21)23)20(24)25-16(2)3/h16-17H,4-15H2,1-3H3
InChIKeyRWGGSCDSSSCZPC-UHFFFAOYSA-N
MW353.50 g/mol
LogP4.38
Rot. Bonds12

About propan-2-yl 1-dodecanoyl-5-oxopyrrolidine-2-carboxylate

propan-2-yl 1-dodecanoyl-5-oxopyrrolidine-2-carboxylate (PubChem CID 68778247) has the molecular formula C20H35NO4 and a molecular weight of 353.50 g/mol. Its IUPAC name is propan-2-yl 1-dodecanoyl-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-dodecanoyl-5-oxopyrrolidine-2-carboxylate
PubChem CID68778247
Molecular FormulaC20H35NO4
Molecular Weight353.50 g/mol
Exact Mass353.26
IUPAC Namepropan-2-yl 1-dodecanoyl-5-oxopyrrolidine-2-carboxylate
SMILESCCCCCCCCCCCC(=O)N1C(=O)CCC1C(=O)OC(C)C
InChIInChI=1S/C20H35NO4/c1-4-5-6-7-8-9-10-11-12-13-18(22)21-17(14-15-19(21)23)20(24)25-16(2)3/h16-17H,4-15H2,1-3H3
InChIKeyRWGGSCDSSSCZPC-UHFFFAOYSA-N
XLogP4.38
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 54.38
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 propan-2-yl 1-dodecanoyl-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of propan-2-yl 1-dodecanoyl-5-oxopyrrolidine-2-carboxylate (CID 68778247) is propan-2-yl 1-dodecanoyl-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for propan-2-yl 1-dodecanoyl-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for propan-2-yl 1-dodecanoyl-5-oxopyrrolidine-2-carboxylate is CCCCCCCCCCCC(=O)N1C(=O)CCC1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 1-dodecanoyl-5-oxopyrrolidine-2-carboxylate?
The InChIKey is RWGGSCDSSSCZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO4/c1-4-5-6-7-8-9-10-11-12-13-18(22)21-17(14-15-19(21)23)20(24)25-16(2)3/h16-17H,4-15H2,1-3H3.
What are the key properties of propan-2-yl 1-dodecanoyl-5-oxopyrrolidine-2-carboxylate?
propan-2-yl 1-dodecanoyl-5-oxopyrrolidine-2-carboxylate has a molecular weight of 353.50 g/mol, XLogP of 4.38, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-dodecanoyl-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 68778247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).