2-[(3R,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyacetic acid

C11H18FNO5 — CID 138732006

IUPAC2-[(3R,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyacetic acid
SMILESCC(C)(C)OC(=O)N1C[C@@H](F)[C@H](OCC(=O)O)C1
InChIInChI=1S/C11H18FNO5/c1-11(2,3)18-10(16)13-4-7(12)8(5-13)17-6-9(14)15/h7-8H,4-6H2,1-3H3,(H,14,15)/t7-,8-/m1/s1
InChIKeyFCOZOABTANAMHD-HTQZYQBOSA-N
MW263.26 g/mol
LogP1.04
Rot. Bonds3

About 2-[(3R,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyacetic acid

2-[(3R,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyacetic acid (PubChem CID 138732006) has the molecular formula C11H18FNO5 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[(3R,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[(3R,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyacetic acid
PubChem CID138732006
Molecular FormulaC11H18FNO5
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-[(3R,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyacetic acid
SMILESCC(C)(C)OC(=O)N1C[C@@H](F)[C@H](OCC(=O)O)C1
InChIInChI=1S/C11H18FNO5/c1-11(2,3)18-10(16)13-4-7(12)8(5-13)17-6-9(14)15/h7-8H,4-6H2,1-3H3,(H,14,15)/t7-,8-/m1/s1
InChIKeyFCOZOABTANAMHD-HTQZYQBOSA-N
XLogP1.04
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[(3R,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyacetic acid (CID 138732006) is 2-[(3R,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[(3R,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[(3R,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyacetic acid is CC(C)(C)OC(=O)N1C[C@@H](F)[C@H](OCC(=O)O)C1.
What is the InChIKey of 2-[(3R,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyacetic acid?
The InChIKey is FCOZOABTANAMHD-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H18FNO5/c1-11(2,3)18-10(16)13-4-7(12)8(5-13)17-6-9(14)15/h7-8H,4-6H2,1-3H3,(H,14,15)/t7-,8-/m1/s1.
What are the key properties of 2-[(3R,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyacetic acid?
2-[(3R,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyacetic acid has a molecular weight of 263.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyacetic acid is sourced from PubChem (CID 138732006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).