4-[(2-fluoro-6-methoxybenzoyl)-methylamino]oxolane-3-carboxylic acid

C14H16FNO5 — CID 66237777

IUPAC4-[(2-fluoro-6-methoxybenzoyl)-methylamino]oxolane-3-carboxylic acid
SMILESCOc1cccc(F)c1C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C14H16FNO5/c1-16(10-7-21-6-8(10)14(18)19)13(17)12-9(15)4-3-5-11(12)20-2/h3-5,8,10H,6-7H2,1-2H3,(H,18,19)
InChIKeyWRNJTTYFMJEMIL-UHFFFAOYSA-N
MW297.28 g/mol
LogP1.01
Rot. Bonds4

About 4-[(2-fluoro-6-methoxybenzoyl)-methylamino]oxolane-3-carboxylic acid

4-[(2-fluoro-6-methoxybenzoyl)-methylamino]oxolane-3-carboxylic acid (PubChem CID 66237777) has the molecular formula C14H16FNO5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-[(2-fluoro-6-methoxybenzoyl)-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-fluoro-6-methoxybenzoyl)-methylamino]oxolane-3-carboxylic acid
PubChem CID66237777
Molecular FormulaC14H16FNO5
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name4-[(2-fluoro-6-methoxybenzoyl)-methylamino]oxolane-3-carboxylic acid
SMILESCOc1cccc(F)c1C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C14H16FNO5/c1-16(10-7-21-6-8(10)14(18)19)13(17)12-9(15)4-3-5-11(12)20-2/h3-5,8,10H,6-7H2,1-2H3,(H,18,19)
InChIKeyWRNJTTYFMJEMIL-UHFFFAOYSA-N
XLogP1.01
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-6-methoxybenzoyl)-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-fluoro-6-methoxybenzoyl)-methylamino]oxolane-3-carboxylic acid (CID 66237777) is 4-[(2-fluoro-6-methoxybenzoyl)-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-fluoro-6-methoxybenzoyl)-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-fluoro-6-methoxybenzoyl)-methylamino]oxolane-3-carboxylic acid is COc1cccc(F)c1C(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[(2-fluoro-6-methoxybenzoyl)-methylamino]oxolane-3-carboxylic acid?
The InChIKey is WRNJTTYFMJEMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO5/c1-16(10-7-21-6-8(10)14(18)19)13(17)12-9(15)4-3-5-11(12)20-2/h3-5,8,10H,6-7H2,1-2H3,(H,18,19).
What are the key properties of 4-[(2-fluoro-6-methoxybenzoyl)-methylamino]oxolane-3-carboxylic acid?
4-[(2-fluoro-6-methoxybenzoyl)-methylamino]oxolane-3-carboxylic acid has a molecular weight of 297.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-6-methoxybenzoyl)-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66237777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).