methyl 2-[3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate

C16H24N2O2 — CID 71912191

IUPACmethyl 2-[3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate
SMILESCOC(=O)C(c1cccnc1)N1CCC(CC(C)C)C1
InChIInChI=1S/C16H24N2O2/c1-12(2)9-13-6-8-18(11-13)15(16(19)20-3)14-5-4-7-17-10-14/h4-5,7,10,12-13,15H,6,8-9,11H2,1-3H3
InChIKeyGFJVMKGFQXSCRD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.66
Rot. Bonds5

About methyl 2-[3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate

methyl 2-[3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate (PubChem CID 71912191) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl 2-[3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate
PubChem CID71912191
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namemethyl 2-[3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate
SMILESCOC(=O)C(c1cccnc1)N1CCC(CC(C)C)C1
InChIInChI=1S/C16H24N2O2/c1-12(2)9-13-6-8-18(11-13)15(16(19)20-3)14-5-4-7-17-10-14/h4-5,7,10,12-13,15H,6,8-9,11H2,1-3H3
InChIKeyGFJVMKGFQXSCRD-UHFFFAOYSA-N
XLogP2.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate?
The IUPAC name of methyl 2-[3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate (CID 71912191) is methyl 2-[3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate.
What is the SMILES notation for methyl 2-[3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate?
The canonical SMILES for methyl 2-[3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate is COC(=O)C(c1cccnc1)N1CCC(CC(C)C)C1.
What is the InChIKey of methyl 2-[3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate?
The InChIKey is GFJVMKGFQXSCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)9-13-6-8-18(11-13)15(16(19)20-3)14-5-4-7-17-10-14/h4-5,7,10,12-13,15H,6,8-9,11H2,1-3H3.
What are the key properties of methyl 2-[3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate?
methyl 2-[3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate has a molecular weight of 276.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate is sourced from PubChem (CID 71912191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).