3-(oxane-4-carbonylamino)oxolane-3-carboxylic acid

C11H17NO5 — CID 64889580

IUPAC3-(oxane-4-carbonylamino)oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)C1CCOCC1
InChIInChI=1S/C11H17NO5/c13-9(8-1-4-16-5-2-8)12-11(10(14)15)3-6-17-7-11/h8H,1-7H2,(H,12,13)(H,14,15)
InChIKeyVLFZWNUQCRMZGM-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.23
Rot. Bonds3

About 3-(oxane-4-carbonylamino)oxolane-3-carboxylic acid

3-(oxane-4-carbonylamino)oxolane-3-carboxylic acid (PubChem CID 64889580) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-(oxane-4-carbonylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(oxane-4-carbonylamino)oxolane-3-carboxylic acid
PubChem CID64889580
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name3-(oxane-4-carbonylamino)oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)C1CCOCC1
InChIInChI=1S/C11H17NO5/c13-9(8-1-4-16-5-2-8)12-11(10(14)15)3-6-17-7-11/h8H,1-7H2,(H,12,13)(H,14,15)
InChIKeyVLFZWNUQCRMZGM-UHFFFAOYSA-N
XLogP-0.23
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxane-4-carbonylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(oxane-4-carbonylamino)oxolane-3-carboxylic acid (CID 64889580) is 3-(oxane-4-carbonylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(oxane-4-carbonylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(oxane-4-carbonylamino)oxolane-3-carboxylic acid is O=C(NC1(C(=O)O)CCOC1)C1CCOCC1.
What is the InChIKey of 3-(oxane-4-carbonylamino)oxolane-3-carboxylic acid?
The InChIKey is VLFZWNUQCRMZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c13-9(8-1-4-16-5-2-8)12-11(10(14)15)3-6-17-7-11/h8H,1-7H2,(H,12,13)(H,14,15).
What are the key properties of 3-(oxane-4-carbonylamino)oxolane-3-carboxylic acid?
3-(oxane-4-carbonylamino)oxolane-3-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxane-4-carbonylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 64889580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).