methyl 4-pentan-3-ylpyrrolidine-3-carboxylate

C11H21NO2 — CID 114486579

IUPACmethyl 4-pentan-3-ylpyrrolidine-3-carboxylate
SMILESCCC(CC)C1CNCC1C(=O)OC
InChIInChI=1S/C11H21NO2/c1-4-8(5-2)9-6-12-7-10(9)11(13)14-3/h8-10,12H,4-7H2,1-3H3
InChIKeyZRNHSDCBESVCEW-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.43
Rot. Bonds4

About methyl 4-pentan-3-ylpyrrolidine-3-carboxylate

methyl 4-pentan-3-ylpyrrolidine-3-carboxylate (PubChem CID 114486579) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 4-pentan-3-ylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-pentan-3-ylpyrrolidine-3-carboxylate
PubChem CID114486579
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 4-pentan-3-ylpyrrolidine-3-carboxylate
SMILESCCC(CC)C1CNCC1C(=O)OC
InChIInChI=1S/C11H21NO2/c1-4-8(5-2)9-6-12-7-10(9)11(13)14-3/h8-10,12H,4-7H2,1-3H3
InChIKeyZRNHSDCBESVCEW-UHFFFAOYSA-N
XLogP1.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-pentan-3-ylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 4-pentan-3-ylpyrrolidine-3-carboxylate (CID 114486579) is methyl 4-pentan-3-ylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 4-pentan-3-ylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 4-pentan-3-ylpyrrolidine-3-carboxylate is CCC(CC)C1CNCC1C(=O)OC.
What is the InChIKey of methyl 4-pentan-3-ylpyrrolidine-3-carboxylate?
The InChIKey is ZRNHSDCBESVCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-8(5-2)9-6-12-7-10(9)11(13)14-3/h8-10,12H,4-7H2,1-3H3.
What are the key properties of methyl 4-pentan-3-ylpyrrolidine-3-carboxylate?
methyl 4-pentan-3-ylpyrrolidine-3-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-pentan-3-ylpyrrolidine-3-carboxylate is sourced from PubChem (CID 114486579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).