4-fluoro-3-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid

C8H12FNO5 — CID 90158758

IUPAC4-fluoro-3-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid
SMILESCOC(=O)C1C(OC)C(F)CN1C(=O)O
InChIInChI=1S/C8H12FNO5/c1-14-6-4(9)3-10(8(12)13)5(6)7(11)15-2/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyGZHVYOSRIXEHBY-UHFFFAOYSA-N
MW221.18 g/mol
LogP-0.13
Rot. Bonds2

About 4-fluoro-3-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid

4-fluoro-3-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid (PubChem CID 90158758) has the molecular formula C8H12FNO5 and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-3-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid
PubChem CID90158758
Molecular FormulaC8H12FNO5
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name4-fluoro-3-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid
SMILESCOC(=O)C1C(OC)C(F)CN1C(=O)O
InChIInChI=1S/C8H12FNO5/c1-14-6-4(9)3-10(8(12)13)5(6)7(11)15-2/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyGZHVYOSRIXEHBY-UHFFFAOYSA-N
XLogP-0.13
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid?
The IUPAC name of 4-fluoro-3-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid (CID 90158758) is 4-fluoro-3-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-3-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid?
The canonical SMILES for 4-fluoro-3-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid is COC(=O)C1C(OC)C(F)CN1C(=O)O.
What is the InChIKey of 4-fluoro-3-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid?
The InChIKey is GZHVYOSRIXEHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO5/c1-14-6-4(9)3-10(8(12)13)5(6)7(11)15-2/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of 4-fluoro-3-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid?
4-fluoro-3-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid has a molecular weight of 221.18 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 90158758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).