1-acetyl-3-propan-2-yl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid

C12H15NO5 — CID 82376964

IUPAC1-acetyl-3-propan-2-yl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid
SMILESCC(=O)N1CC(C(C)C)Oc2oc(C(=O)O)cc21
InChIInChI=1S/C12H15NO5/c1-6(2)10-5-13(7(3)14)8-4-9(11(15)16)17-12(8)18-10/h4,6,10H,5H2,1-3H3,(H,15,16)
InChIKeyFLOYWRHCNWHTNR-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.75
Rot. Bonds2

About 1-acetyl-3-propan-2-yl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid

1-acetyl-3-propan-2-yl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid (PubChem CID 82376964) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-acetyl-3-propan-2-yl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-3-propan-2-yl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid
PubChem CID82376964
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name1-acetyl-3-propan-2-yl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid
SMILESCC(=O)N1CC(C(C)C)Oc2oc(C(=O)O)cc21
InChIInChI=1S/C12H15NO5/c1-6(2)10-5-13(7(3)14)8-4-9(11(15)16)17-12(8)18-10/h4,6,10H,5H2,1-3H3,(H,15,16)
InChIKeyFLOYWRHCNWHTNR-UHFFFAOYSA-N
XLogP1.75
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-propan-2-yl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid?
The IUPAC name of 1-acetyl-3-propan-2-yl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid (CID 82376964) is 1-acetyl-3-propan-2-yl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid.
What is the SMILES notation for 1-acetyl-3-propan-2-yl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid?
The canonical SMILES for 1-acetyl-3-propan-2-yl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid is CC(=O)N1CC(C(C)C)Oc2oc(C(=O)O)cc21.
What is the InChIKey of 1-acetyl-3-propan-2-yl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid?
The InChIKey is FLOYWRHCNWHTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-6(2)10-5-13(7(3)14)8-4-9(11(15)16)17-12(8)18-10/h4,6,10H,5H2,1-3H3,(H,15,16).
What are the key properties of 1-acetyl-3-propan-2-yl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid?
1-acetyl-3-propan-2-yl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid has a molecular weight of 253.25 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-propan-2-yl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid is sourced from PubChem (CID 82376964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).