methyl 2-[(5-tert-butyl-2-pyridinyl)amino]-3-methylbutanoate

C15H24N2O2 — CID 114011567

IUPACmethyl 2-[(5-tert-butyl-2-pyridinyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(Nc1ccc(C(C)(C)C)cn1)C(C)C
InChIInChI=1S/C15H24N2O2/c1-10(2)13(14(18)19-6)17-12-8-7-11(9-16-12)15(3,4)5/h7-10,13H,1-6H3,(H,16,17)
InChIKeyVMVRFLKQEGLRDB-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.99
Rot. Bonds4

About methyl 2-[(5-tert-butyl-2-pyridinyl)amino]-3-methylbutanoate

methyl 2-[(5-tert-butyl-2-pyridinyl)amino]-3-methylbutanoate (PubChem CID 114011567) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl 2-[(5-tert-butyl-2-pyridinyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(5-tert-butyl-2-pyridinyl)amino]-3-methylbutanoate
PubChem CID114011567
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Namemethyl 2-[(5-tert-butyl-2-pyridinyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(Nc1ccc(C(C)(C)C)cn1)C(C)C
InChIInChI=1S/C15H24N2O2/c1-10(2)13(14(18)19-6)17-12-8-7-11(9-16-12)15(3,4)5/h7-10,13H,1-6H3,(H,16,17)
InChIKeyVMVRFLKQEGLRDB-UHFFFAOYSA-N
XLogP2.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-tert-butyl-2-pyridinyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(5-tert-butyl-2-pyridinyl)amino]-3-methylbutanoate (CID 114011567) is methyl 2-[(5-tert-butyl-2-pyridinyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(5-tert-butyl-2-pyridinyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(5-tert-butyl-2-pyridinyl)amino]-3-methylbutanoate is COC(=O)C(Nc1ccc(C(C)(C)C)cn1)C(C)C.
What is the InChIKey of methyl 2-[(5-tert-butyl-2-pyridinyl)amino]-3-methylbutanoate?
The InChIKey is VMVRFLKQEGLRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)13(14(18)19-6)17-12-8-7-11(9-16-12)15(3,4)5/h7-10,13H,1-6H3,(H,16,17).
What are the key properties of methyl 2-[(5-tert-butyl-2-pyridinyl)amino]-3-methylbutanoate?
methyl 2-[(5-tert-butyl-2-pyridinyl)amino]-3-methylbutanoate has a molecular weight of 264.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-tert-butyl-2-pyridinyl)amino]-3-methylbutanoate is sourced from PubChem (CID 114011567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).