3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolidine-1-carboxylic acid

C10H16FNO5 — CID 123343759

IUPAC3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)OC1CN(C(=O)O)CC1F
InChIInChI=1S/C10H16FNO5/c1-10(2,3)17-9(15)16-7-5-12(8(13)14)4-6(7)11/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyZPACDIPDRCBDEN-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.64
Rot. Bonds1

About 3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolidine-1-carboxylic acid

3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolidine-1-carboxylic acid (PubChem CID 123343759) has the molecular formula C10H16FNO5 and a molecular weight of 249.24 g/mol. Its IUPAC name is 3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolidine-1-carboxylic acid
PubChem CID123343759
Molecular FormulaC10H16FNO5
Molecular Weight249.24 g/mol
Exact Mass249.10
IUPAC Name3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)OC1CN(C(=O)O)CC1F
InChIInChI=1S/C10H16FNO5/c1-10(2,3)17-9(15)16-7-5-12(8(13)14)4-6(7)11/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyZPACDIPDRCBDEN-UHFFFAOYSA-N
XLogP1.64
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolidine-1-carboxylic acid (CID 123343759) is 3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolidine-1-carboxylic acid is CC(C)(C)OC(=O)OC1CN(C(=O)O)CC1F.
What is the InChIKey of 3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolidine-1-carboxylic acid?
The InChIKey is ZPACDIPDRCBDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO5/c1-10(2,3)17-9(15)16-7-5-12(8(13)14)4-6(7)11/h6-7H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolidine-1-carboxylic acid?
3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolidine-1-carboxylic acid has a molecular weight of 249.24 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 123343759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).