1-[2-[2-(difluoromethoxy)phenyl]acetyl]pyrrolidine-3-carboxylic acid

C14H15F2NO4 — CID 119354951

IUPAC1-[2-[2-(difluoromethoxy)phenyl]acetyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cc2ccccc2OC(F)F)C1
InChIInChI=1S/C14H15F2NO4/c15-14(16)21-11-4-2-1-3-9(11)7-12(18)17-6-5-10(8-17)13(19)20/h1-4,10,14H,5-8H2,(H,19,20)
InChIKeyGWUHQCCBXHKGAE-UHFFFAOYSA-N
MW299.27 g/mol
LogP1.76
Rot. Bonds5

About 1-[2-[2-(difluoromethoxy)phenyl]acetyl]pyrrolidine-3-carboxylic acid

1-[2-[2-(difluoromethoxy)phenyl]acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 119354951) has the molecular formula C14H15F2NO4 and a molecular weight of 299.27 g/mol. Its IUPAC name is 1-[2-[2-(difluoromethoxy)phenyl]acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-(difluoromethoxy)phenyl]acetyl]pyrrolidine-3-carboxylic acid
PubChem CID119354951
Molecular FormulaC14H15F2NO4
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name1-[2-[2-(difluoromethoxy)phenyl]acetyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cc2ccccc2OC(F)F)C1
InChIInChI=1S/C14H15F2NO4/c15-14(16)21-11-4-2-1-3-9(11)7-12(18)17-6-5-10(8-17)13(19)20/h1-4,10,14H,5-8H2,(H,19,20)
InChIKeyGWUHQCCBXHKGAE-UHFFFAOYSA-N
XLogP1.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(difluoromethoxy)phenyl]acetyl]piperidine-4-carboxylic acid
CID 119166793
1-[[2-(difluoromethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031385
1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 43440909
1-[2-(2-iodophenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 120533907
1-[2-[2-(aminomethyl)phenyl]acetyl]pyrrolidine-3-carboxylic acid
CID 81322694
1-[2-(difluoromethoxy)-4-fluorobenzoyl]pyrrolidine-3-carboxylic acid
CID 119355247
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 119934244
1-[1-[2-(difluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 65066569
1-(1,4-diazepan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanone;hydrochloride
CID 119416195
1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63031287
1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 55608451
1-[2-(2-propan-2-ylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63005639

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(difluoromethoxy)phenyl]acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[2-(difluoromethoxy)phenyl]acetyl]pyrrolidine-3-carboxylic acid (CID 119354951) is 1-[2-[2-(difluoromethoxy)phenyl]acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[2-(difluoromethoxy)phenyl]acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[2-(difluoromethoxy)phenyl]acetyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)Cc2ccccc2OC(F)F)C1.
What is the InChIKey of 1-[2-[2-(difluoromethoxy)phenyl]acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is GWUHQCCBXHKGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO4/c15-14(16)21-11-4-2-1-3-9(11)7-12(18)17-6-5-10(8-17)13(19)20/h1-4,10,14H,5-8H2,(H,19,20).
What are the key properties of 1-[2-[2-(difluoromethoxy)phenyl]acetyl]pyrrolidine-3-carboxylic acid?
1-[2-[2-(difluoromethoxy)phenyl]acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 299.27 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(difluoromethoxy)phenyl]acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119354951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).