dimethyl 2-(oxolane-2-carbonylamino)benzene-1,4-dicarboxylate

C15H17NO6 — CID 2932469

IUPACdimethyl 2-(oxolane-2-carbonylamino)benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCCO2)c1
InChIInChI=1S/C15H17NO6/c1-20-14(18)9-5-6-10(15(19)21-2)11(8-9)16-13(17)12-4-3-7-22-12/h5-6,8,12H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyXMYCNISKTAJGQV-UHFFFAOYSA-N
MW307.30 g/mol
LogP1.38
Rot. Bonds4

About dimethyl 2-(oxolane-2-carbonylamino)benzene-1,4-dicarboxylate

dimethyl 2-(oxolane-2-carbonylamino)benzene-1,4-dicarboxylate (PubChem CID 2932469) has the molecular formula C15H17NO6 and a molecular weight of 307.30 g/mol. Its IUPAC name is dimethyl 2-(oxolane-2-carbonylamino)benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(oxolane-2-carbonylamino)benzene-1,4-dicarboxylate
PubChem CID2932469
Molecular FormulaC15H17NO6
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Namedimethyl 2-(oxolane-2-carbonylamino)benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCCO2)c1
InChIInChI=1S/C15H17NO6/c1-20-14(18)9-5-6-10(15(19)21-2)11(8-9)16-13(17)12-4-3-7-22-12/h5-6,8,12H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyXMYCNISKTAJGQV-UHFFFAOYSA-N
XLogP1.38
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(oxolane-2-carbonylamino)benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-(oxolane-2-carbonylamino)benzene-1,4-dicarboxylate (CID 2932469) is dimethyl 2-(oxolane-2-carbonylamino)benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-(oxolane-2-carbonylamino)benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-(oxolane-2-carbonylamino)benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCCO2)c1.
What is the InChIKey of dimethyl 2-(oxolane-2-carbonylamino)benzene-1,4-dicarboxylate?
The InChIKey is XMYCNISKTAJGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO6/c1-20-14(18)9-5-6-10(15(19)21-2)11(8-9)16-13(17)12-4-3-7-22-12/h5-6,8,12H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of dimethyl 2-(oxolane-2-carbonylamino)benzene-1,4-dicarboxylate?
dimethyl 2-(oxolane-2-carbonylamino)benzene-1,4-dicarboxylate has a molecular weight of 307.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(oxolane-2-carbonylamino)benzene-1,4-dicarboxylate is sourced from PubChem (CID 2932469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).