methyl 2-(2,2-dimethylpropanoylamino)-3-(5-hydroxy-2-pyridinyl)propanoate

C14H20N2O4 — CID 59079990

IUPACmethyl 2-(2,2-dimethylpropanoylamino)-3-(5-hydroxy-2-pyridinyl)propanoate
SMILESCOC(=O)C(Cc1ccc(O)cn1)NC(=O)C(C)(C)C
InChIInChI=1S/C14H20N2O4/c1-14(2,3)13(19)16-11(12(18)20-4)7-9-5-6-10(17)8-15-9/h5-6,8,11,17H,7H2,1-4H3,(H,16,19)
InChIKeyRYMBFZLJXMWOPG-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.03
Rot. Bonds4

About methyl 2-(2,2-dimethylpropanoylamino)-3-(5-hydroxy-2-pyridinyl)propanoate

methyl 2-(2,2-dimethylpropanoylamino)-3-(5-hydroxy-2-pyridinyl)propanoate (PubChem CID 59079990) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 2-(2,2-dimethylpropanoylamino)-3-(5-hydroxy-2-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethylpropanoylamino)-3-(5-hydroxy-2-pyridinyl)propanoate
PubChem CID59079990
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 2-(2,2-dimethylpropanoylamino)-3-(5-hydroxy-2-pyridinyl)propanoate
SMILESCOC(=O)C(Cc1ccc(O)cn1)NC(=O)C(C)(C)C
InChIInChI=1S/C14H20N2O4/c1-14(2,3)13(19)16-11(12(18)20-4)7-9-5-6-10(17)8-15-9/h5-6,8,11,17H,7H2,1-4H3,(H,16,19)
InChIKeyRYMBFZLJXMWOPG-UHFFFAOYSA-N
XLogP1.03
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-dimethylpropanoylamino)-3-(5-hydroxy-2-pyridinyl)propanoate?
The IUPAC name of methyl 2-(2,2-dimethylpropanoylamino)-3-(5-hydroxy-2-pyridinyl)propanoate (CID 59079990) is methyl 2-(2,2-dimethylpropanoylamino)-3-(5-hydroxy-2-pyridinyl)propanoate.
What is the SMILES notation for methyl 2-(2,2-dimethylpropanoylamino)-3-(5-hydroxy-2-pyridinyl)propanoate?
The canonical SMILES for methyl 2-(2,2-dimethylpropanoylamino)-3-(5-hydroxy-2-pyridinyl)propanoate is COC(=O)C(Cc1ccc(O)cn1)NC(=O)C(C)(C)C.
What is the InChIKey of methyl 2-(2,2-dimethylpropanoylamino)-3-(5-hydroxy-2-pyridinyl)propanoate?
The InChIKey is RYMBFZLJXMWOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,3)13(19)16-11(12(18)20-4)7-9-5-6-10(17)8-15-9/h5-6,8,11,17H,7H2,1-4H3,(H,16,19).
What are the key properties of methyl 2-(2,2-dimethylpropanoylamino)-3-(5-hydroxy-2-pyridinyl)propanoate?
methyl 2-(2,2-dimethylpropanoylamino)-3-(5-hydroxy-2-pyridinyl)propanoate has a molecular weight of 280.32 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethylpropanoylamino)-3-(5-hydroxy-2-pyridinyl)propanoate is sourced from PubChem (CID 59079990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).