3-(3,4-dihydro-2H-chromene-2-carbonylamino)oxane-3-carboxylic acid

C16H19NO5 — CID 166287545

IUPAC3-(3,4-dihydro-2H-chromene-2-carbonylamino)oxane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCOC1)C1CCc2ccccc2O1
InChIInChI=1S/C16H19NO5/c18-14(17-16(15(19)20)8-3-9-21-10-16)13-7-6-11-4-1-2-5-12(11)22-13/h1-2,4-5,13H,3,6-10H2,(H,17,18)(H,19,20)
InChIKeyZUFKLKSENHMXCZ-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.13
Rot. Bonds3

About 3-(3,4-dihydro-2H-chromene-2-carbonylamino)oxane-3-carboxylic acid

3-(3,4-dihydro-2H-chromene-2-carbonylamino)oxane-3-carboxylic acid (PubChem CID 166287545) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromene-2-carbonylamino)oxane-3-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromene-2-carbonylamino)oxane-3-carboxylic acid
PubChem CID166287545
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name3-(3,4-dihydro-2H-chromene-2-carbonylamino)oxane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCOC1)C1CCc2ccccc2O1
InChIInChI=1S/C16H19NO5/c18-14(17-16(15(19)20)8-3-9-21-10-16)13-7-6-11-4-1-2-5-12(11)22-13/h1-2,4-5,13H,3,6-10H2,(H,17,18)(H,19,20)
InChIKeyZUFKLKSENHMXCZ-UHFFFAOYSA-N
XLogP1.13
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromene-2-carbonylamino)oxane-3-carboxylic acid?
The IUPAC name of 3-(3,4-dihydro-2H-chromene-2-carbonylamino)oxane-3-carboxylic acid (CID 166287545) is 3-(3,4-dihydro-2H-chromene-2-carbonylamino)oxane-3-carboxylic acid.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromene-2-carbonylamino)oxane-3-carboxylic acid?
The canonical SMILES for 3-(3,4-dihydro-2H-chromene-2-carbonylamino)oxane-3-carboxylic acid is O=C(NC1(C(=O)O)CCCOC1)C1CCc2ccccc2O1.
What is the InChIKey of 3-(3,4-dihydro-2H-chromene-2-carbonylamino)oxane-3-carboxylic acid?
The InChIKey is ZUFKLKSENHMXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c18-14(17-16(15(19)20)8-3-9-21-10-16)13-7-6-11-4-1-2-5-12(11)22-13/h1-2,4-5,13H,3,6-10H2,(H,17,18)(H,19,20).
What are the key properties of 3-(3,4-dihydro-2H-chromene-2-carbonylamino)oxane-3-carboxylic acid?
3-(3,4-dihydro-2H-chromene-2-carbonylamino)oxane-3-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromene-2-carbonylamino)oxane-3-carboxylic acid is sourced from PubChem (CID 166287545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).