4-[3-fluoropropyl(propyl)amino]oxolane-3-carboxylic acid

C11H20FNO3 — CID 81113761

IUPAC4-[3-fluoropropyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(CCCF)C1COCC1C(=O)O
InChIInChI=1S/C11H20FNO3/c1-2-5-13(6-3-4-12)10-8-16-7-9(10)11(14)15/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyJUXGISVZVXWBBK-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.16
Rot. Bonds7

About 4-[3-fluoropropyl(propyl)amino]oxolane-3-carboxylic acid

4-[3-fluoropropyl(propyl)amino]oxolane-3-carboxylic acid (PubChem CID 81113761) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is 4-[3-fluoropropyl(propyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-fluoropropyl(propyl)amino]oxolane-3-carboxylic acid
PubChem CID81113761
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name4-[3-fluoropropyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(CCCF)C1COCC1C(=O)O
InChIInChI=1S/C11H20FNO3/c1-2-5-13(6-3-4-12)10-8-16-7-9(10)11(14)15/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyJUXGISVZVXWBBK-UHFFFAOYSA-N
XLogP1.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoropropyl(propyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[3-fluoropropyl(propyl)amino]oxolane-3-carboxylic acid (CID 81113761) is 4-[3-fluoropropyl(propyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[3-fluoropropyl(propyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[3-fluoropropyl(propyl)amino]oxolane-3-carboxylic acid is CCCN(CCCF)C1COCC1C(=O)O.
What is the InChIKey of 4-[3-fluoropropyl(propyl)amino]oxolane-3-carboxylic acid?
The InChIKey is JUXGISVZVXWBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-2-5-13(6-3-4-12)10-8-16-7-9(10)11(14)15/h9-10H,2-8H2,1H3,(H,14,15).
What are the key properties of 4-[3-fluoropropyl(propyl)amino]oxolane-3-carboxylic acid?
4-[3-fluoropropyl(propyl)amino]oxolane-3-carboxylic acid has a molecular weight of 233.28 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoropropyl(propyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 81113761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).