methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate

C12H16N2O4 — CID 14842342

IUPACmethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C12H16N2O4/c1-12(2,3)18-11(16)14-8-5-6-9(13-7-8)10(15)17-4/h5-7H,1-4H3,(H,14,16)
InChIKeyGPVMPPDFEOSPND-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.22
Rot. Bonds2

About methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate

methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate (PubChem CID 14842342) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
PubChem CID14842342
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Namemethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C12H16N2O4/c1-12(2,3)18-11(16)14-8-5-6-9(13-7-8)10(15)17-4/h5-7H,1-4H3,(H,14,16)
InChIKeyGPVMPPDFEOSPND-UHFFFAOYSA-N
XLogP2.22
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate (CID 14842342) is methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate is COC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1.
What is the InChIKey of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?
The InChIKey is GPVMPPDFEOSPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-12(2,3)18-11(16)14-8-5-6-9(13-7-8)10(15)17-4/h5-7H,1-4H3,(H,14,16).
What are the key properties of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?
methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate is sourced from PubChem (CID 14842342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).