methyl 1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylate

C11H19NO3 — CID 10932786

IUPACmethyl 1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(CCC(C)C)C1
InChIInChI=1S/C11H19NO3/c1-8(2)4-5-12-7-9(6-10(12)13)11(14)15-3/h8-9H,4-7H2,1-3H3
InChIKeyLUATXYOZRJQKBS-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.05
Rot. Bonds4

About methyl 1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 10932786) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID10932786
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(CCC(C)C)C1
InChIInChI=1S/C11H19NO3/c1-8(2)4-5-12-7-9(6-10(12)13)11(14)15-3/h8-9H,4-7H2,1-3H3
InChIKeyLUATXYOZRJQKBS-UHFFFAOYSA-N
XLogP1.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylate (CID 10932786) is methyl 1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(CCC(C)C)C1.
What is the InChIKey of methyl 1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is LUATXYOZRJQKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)4-5-12-7-9(6-10(12)13)11(14)15-3/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 10932786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).