butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate

C13H20N2O2 — CID 62996750

IUPACbutyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate
SMILESCCCCOC(=O)CNCc1ccc(C)nc1
InChIInChI=1S/C13H20N2O2/c1-3-4-7-17-13(16)10-14-8-12-6-5-11(2)15-9-12/h5-6,9,14H,3-4,7-8,10H2,1-2H3
InChIKeyZWVAZDFMGORDTQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.82
Rot. Bonds7

About butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate

butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate (PubChem CID 62996750) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate.

Molecular Properties

Compound Namebutyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate
PubChem CID62996750
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namebutyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate
SMILESCCCCOC(=O)CNCc1ccc(C)nc1
InChIInChI=1S/C13H20N2O2/c1-3-4-7-17-13(16)10-14-8-12-6-5-11(2)15-9-12/h5-6,9,14H,3-4,7-8,10H2,1-2H3
InChIKeyZWVAZDFMGORDTQ-UHFFFAOYSA-N
XLogP1.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
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 butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate?
The IUPAC name of butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate (CID 62996750) is butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate.
What is the SMILES notation for butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate?
The canonical SMILES for butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate is CCCCOC(=O)CNCc1ccc(C)nc1.
What is the InChIKey of butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate?
The InChIKey is ZWVAZDFMGORDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-4-7-17-13(16)10-14-8-12-6-5-11(2)15-9-12/h5-6,9,14H,3-4,7-8,10H2,1-2H3.
What are the key properties of butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate?
butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate has a molecular weight of 236.31 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate is sourced from PubChem (CID 62996750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).