5-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid

C14H16FNO4 — CID 67033620

IUPAC5-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(CF)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H16FNO4/c15-7-12-6-11(13(17)18)8-16(12)14(19)20-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,17,18)
InChIKeyMUYQGCOKFADPJG-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.07
Rot. Bonds4

About 5-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid

5-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid (PubChem CID 67033620) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 5-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
PubChem CID67033620
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name5-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(CF)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H16FNO4/c15-7-12-6-11(13(17)18)8-16(12)14(19)20-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,17,18)
InChIKeyMUYQGCOKFADPJG-UHFFFAOYSA-N
XLogP2.07
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid (CID 67033620) is 5-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid is O=C(O)C1CC(CF)N(C(=O)OCc2ccccc2)C1.
What is the InChIKey of 5-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid?
The InChIKey is MUYQGCOKFADPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c15-7-12-6-11(13(17)18)8-16(12)14(19)20-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,17,18).
What are the key properties of 5-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid?
5-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 67033620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).