tert-butyl 2-[2-oxo-3-(prop-2-enoxycarbonylamino)-1-pyridinyl]acetate

C15H20N2O5 — CID 22943470

IUPACtert-butyl 2-[2-oxo-3-(prop-2-enoxycarbonylamino)-1-pyridinyl]acetate
SMILESC=CCOC(=O)Nc1cccn(CC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C15H20N2O5/c1-5-9-21-14(20)16-11-7-6-8-17(13(11)19)10-12(18)22-15(2,3)4/h5-8H,1,9-10H2,2-4H3,(H,16,20)
InChIKeyFATBALUZTJBFAW-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.92
Rot. Bonds5

About tert-butyl 2-[2-oxo-3-(prop-2-enoxycarbonylamino)-1-pyridinyl]acetate

tert-butyl 2-[2-oxo-3-(prop-2-enoxycarbonylamino)-1-pyridinyl]acetate (PubChem CID 22943470) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is tert-butyl 2-[2-oxo-3-(prop-2-enoxycarbonylamino)-1-pyridinyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-oxo-3-(prop-2-enoxycarbonylamino)-1-pyridinyl]acetate
PubChem CID22943470
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Nametert-butyl 2-[2-oxo-3-(prop-2-enoxycarbonylamino)-1-pyridinyl]acetate
SMILESC=CCOC(=O)Nc1cccn(CC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C15H20N2O5/c1-5-9-21-14(20)16-11-7-6-8-17(13(11)19)10-12(18)22-15(2,3)4/h5-8H,1,9-10H2,2-4H3,(H,16,20)
InChIKeyFATBALUZTJBFAW-UHFFFAOYSA-N
XLogP1.92
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-oxo-3-(prop-2-enoxycarbonylamino)-1-pyridinyl]acetate?
The IUPAC name of tert-butyl 2-[2-oxo-3-(prop-2-enoxycarbonylamino)-1-pyridinyl]acetate (CID 22943470) is tert-butyl 2-[2-oxo-3-(prop-2-enoxycarbonylamino)-1-pyridinyl]acetate.
What is the SMILES notation for tert-butyl 2-[2-oxo-3-(prop-2-enoxycarbonylamino)-1-pyridinyl]acetate?
The canonical SMILES for tert-butyl 2-[2-oxo-3-(prop-2-enoxycarbonylamino)-1-pyridinyl]acetate is C=CCOC(=O)Nc1cccn(CC(=O)OC(C)(C)C)c1=O.
What is the InChIKey of tert-butyl 2-[2-oxo-3-(prop-2-enoxycarbonylamino)-1-pyridinyl]acetate?
The InChIKey is FATBALUZTJBFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-5-9-21-14(20)16-11-7-6-8-17(13(11)19)10-12(18)22-15(2,3)4/h5-8H,1,9-10H2,2-4H3,(H,16,20).
What are the key properties of tert-butyl 2-[2-oxo-3-(prop-2-enoxycarbonylamino)-1-pyridinyl]acetate?
tert-butyl 2-[2-oxo-3-(prop-2-enoxycarbonylamino)-1-pyridinyl]acetate has a molecular weight of 308.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-oxo-3-(prop-2-enoxycarbonylamino)-1-pyridinyl]acetate is sourced from PubChem (CID 22943470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).