4-oxo-4-[4-(oxolane-2-carbonylamino)anilino]butanoate

C15H17N2O5- — CID 118704665

IUPAC4-oxo-4-[4-(oxolane-2-carbonylamino)anilino]butanoate
SMILESO=C([O-])CCC(=O)Nc1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C15H18N2O5/c18-13(7-8-14(19)20)16-10-3-5-11(6-4-10)17-15(21)12-2-1-9-22-12/h3-6,12H,1-2,7-9H2,(H,16,18)(H,17,21)(H,19,20)/p-1
InChIKeyGKIGTEYOPIADIY-UHFFFAOYSA-M
MW305.31 g/mol
LogP0.27
Rot. Bonds6

About 4-oxo-4-[4-(oxolane-2-carbonylamino)anilino]butanoate

4-oxo-4-[4-(oxolane-2-carbonylamino)anilino]butanoate (PubChem CID 118704665) has the molecular formula C15H17N2O5- and a molecular weight of 305.31 g/mol. Its IUPAC name is 4-oxo-4-[4-(oxolane-2-carbonylamino)anilino]butanoate.

Molecular Properties

Compound Name4-oxo-4-[4-(oxolane-2-carbonylamino)anilino]butanoate
PubChem CID118704665
Molecular FormulaC15H17N2O5-
Molecular Weight305.31 g/mol
Exact Mass305.11
IUPAC Name4-oxo-4-[4-(oxolane-2-carbonylamino)anilino]butanoate
SMILESO=C([O-])CCC(=O)Nc1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C15H18N2O5/c18-13(7-8-14(19)20)16-10-3-5-11(6-4-10)17-15(21)12-2-1-9-22-12/h3-6,12H,1-2,7-9H2,(H,16,18)(H,17,21)(H,19,20)/p-1
InChIKeyGKIGTEYOPIADIY-UHFFFAOYSA-M
XLogP0.27
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[4-(oxolane-2-carbonylamino)anilino]butanoate?
The IUPAC name of 4-oxo-4-[4-(oxolane-2-carbonylamino)anilino]butanoate (CID 118704665) is 4-oxo-4-[4-(oxolane-2-carbonylamino)anilino]butanoate.
What is the SMILES notation for 4-oxo-4-[4-(oxolane-2-carbonylamino)anilino]butanoate?
The canonical SMILES for 4-oxo-4-[4-(oxolane-2-carbonylamino)anilino]butanoate is O=C([O-])CCC(=O)Nc1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of 4-oxo-4-[4-(oxolane-2-carbonylamino)anilino]butanoate?
The InChIKey is GKIGTEYOPIADIY-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H18N2O5/c18-13(7-8-14(19)20)16-10-3-5-11(6-4-10)17-15(21)12-2-1-9-22-12/h3-6,12H,1-2,7-9H2,(H,16,18)(H,17,21)(H,19,20)/p-1.
What are the key properties of 4-oxo-4-[4-(oxolane-2-carbonylamino)anilino]butanoate?
4-oxo-4-[4-(oxolane-2-carbonylamino)anilino]butanoate has a molecular weight of 305.31 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[4-(oxolane-2-carbonylamino)anilino]butanoate is sourced from PubChem (CID 118704665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).