1-[2-(3-fluorophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid

C15H18FNO4 — CID 63146213

IUPAC1-[2-(3-fluorophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(Oc1cccc(F)c1)C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C15H18FNO4/c1-10(21-12-5-3-4-11(16)8-12)13(18)17-7-6-15(2,9-17)14(19)20/h3-5,8,10H,6-7,9H2,1-2H3,(H,19,20)
InChIKeyRXFYVPSDGPFQHL-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.92
Rot. Bonds4

About 1-[2-(3-fluorophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[2-(3-fluorophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63146213) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-[2-(3-fluorophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-fluorophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63146213
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name1-[2-(3-fluorophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(Oc1cccc(F)c1)C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C15H18FNO4/c1-10(21-12-5-3-4-11(16)8-12)13(18)17-7-6-15(2,9-17)14(19)20/h3-5,8,10H,6-7,9H2,1-2H3,(H,19,20)
InChIKeyRXFYVPSDGPFQHL-UHFFFAOYSA-N
XLogP1.92
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxyphenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257095
6-[2-(3-fluorophenoxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175614
1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one
CID 86925844
(3R)-1-[4-(3-fluorophenoxy)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124692495
(3R)-1-[(2S)-2-(2-bromophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124696026
4-[2-(3-fluorophenoxy)propanoyl]piperazine-2,6-dione
CID 66083720
3-methyl-1-(2-phenoxy-2-phenylacetyl)pyrrolidine-3-carboxylic acid
CID 119256533
(3S)-3-methyl-1-[(2S)-2-methyl-4-phenoxybutanoyl]pyrrolidine-3-carboxylic acid
CID 124693554
(3R)-3-methyl-1-[(2R)-2-methyl-4-phenoxybutanoyl]pyrrolidine-3-carboxylic acid
CID 124691378
1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one
CID 86926716
1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256443
1-(2-ethoxypropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256934

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(3-fluorophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63146213) is 1-[2-(3-fluorophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3-fluorophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3-fluorophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid is CC(Oc1cccc(F)c1)C(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[2-(3-fluorophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is RXFYVPSDGPFQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-10(21-12-5-3-4-11(16)8-12)13(18)17-7-6-15(2,9-17)14(19)20/h3-5,8,10H,6-7,9H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-(3-fluorophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[2-(3-fluorophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).