methyl 4-[(5-tert-butyl-2-pyridinyl)-methylamino]butanoate

C15H24N2O2 — CID 107875425

IUPACmethyl 4-[(5-tert-butyl-2-pyridinyl)-methylamino]butanoate
SMILESCOC(=O)CCCN(C)c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)12-8-9-13(16-11-12)17(4)10-6-7-14(18)19-5/h8-9,11H,6-7,10H2,1-5H3
InChIKeyWJXRXEULVNWJDO-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.77
Rot. Bonds5

About methyl 4-[(5-tert-butyl-2-pyridinyl)-methylamino]butanoate

methyl 4-[(5-tert-butyl-2-pyridinyl)-methylamino]butanoate (PubChem CID 107875425) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl 4-[(5-tert-butyl-2-pyridinyl)-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(5-tert-butyl-2-pyridinyl)-methylamino]butanoate
PubChem CID107875425
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Namemethyl 4-[(5-tert-butyl-2-pyridinyl)-methylamino]butanoate
SMILESCOC(=O)CCCN(C)c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)12-8-9-13(16-11-12)17(4)10-6-7-14(18)19-5/h8-9,11H,6-7,10H2,1-5H3
InChIKeyWJXRXEULVNWJDO-UHFFFAOYSA-N
XLogP2.77
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-tert-butyl-2-pyridinyl)-methylamino]butanoate?
The IUPAC name of methyl 4-[(5-tert-butyl-2-pyridinyl)-methylamino]butanoate (CID 107875425) is methyl 4-[(5-tert-butyl-2-pyridinyl)-methylamino]butanoate.
What is the SMILES notation for methyl 4-[(5-tert-butyl-2-pyridinyl)-methylamino]butanoate?
The canonical SMILES for methyl 4-[(5-tert-butyl-2-pyridinyl)-methylamino]butanoate is COC(=O)CCCN(C)c1ccc(C(C)(C)C)cn1.
What is the InChIKey of methyl 4-[(5-tert-butyl-2-pyridinyl)-methylamino]butanoate?
The InChIKey is WJXRXEULVNWJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,3)12-8-9-13(16-11-12)17(4)10-6-7-14(18)19-5/h8-9,11H,6-7,10H2,1-5H3.
What are the key properties of methyl 4-[(5-tert-butyl-2-pyridinyl)-methylamino]butanoate?
methyl 4-[(5-tert-butyl-2-pyridinyl)-methylamino]butanoate has a molecular weight of 264.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-tert-butyl-2-pyridinyl)-methylamino]butanoate is sourced from PubChem (CID 107875425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).