1-[2-[4-(difluoromethoxy)phenyl]acetyl]pyrrolidine-2-carboxylic acid

C14H15F2NO4 — CID 43170890

IUPAC1-[2-[4-(difluoromethoxy)phenyl]acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H15F2NO4/c15-14(16)21-10-5-3-9(4-6-10)8-12(18)17-7-1-2-11(17)13(19)20/h3-6,11,14H,1-2,7-8H2,(H,19,20)
InChIKeyJGEOGXYLNFPVLI-UHFFFAOYSA-N
MW299.27 g/mol
LogP1.91
Rot. Bonds5

About 1-[2-[4-(difluoromethoxy)phenyl]acetyl]pyrrolidine-2-carboxylic acid

1-[2-[4-(difluoromethoxy)phenyl]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 43170890) has the molecular formula C14H15F2NO4 and a molecular weight of 299.27 g/mol. Its IUPAC name is 1-[2-[4-(difluoromethoxy)phenyl]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-(difluoromethoxy)phenyl]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID43170890
Molecular FormulaC14H15F2NO4
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name1-[2-[4-(difluoromethoxy)phenyl]acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H15F2NO4/c15-14(16)21-10-5-3-9(4-6-10)8-12(18)17-7-1-2-11(17)13(19)20/h3-6,11,14H,1-2,7-8H2,(H,19,20)
InChIKeyJGEOGXYLNFPVLI-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-2-carboxylic acid
CID 119176054
1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 16796004
(2R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 78920281
(2R)-1-[2-(4-acetylphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119372064
2-[4-(difluoromethoxy)phenyl]-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43393280
(2R)-1-[2-[4-(dimethylamino)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 57426175
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43239484
1-[2-(4-hydroxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64558978
(2S)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 61137100
2-[4-(difluoromethoxy)phenyl]-1-(2-methylpiperazin-1-yl)ethanone
CID 119471466
(2S)-1-[2-(6-methyl-3-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119364937
(2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922418

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(difluoromethoxy)phenyl]acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-[4-(difluoromethoxy)phenyl]acetyl]pyrrolidine-2-carboxylic acid (CID 43170890) is 1-[2-[4-(difluoromethoxy)phenyl]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[4-(difluoromethoxy)phenyl]acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[4-(difluoromethoxy)phenyl]acetyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[2-[4-(difluoromethoxy)phenyl]acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JGEOGXYLNFPVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO4/c15-14(16)21-10-5-3-9(4-6-10)8-12(18)17-7-1-2-11(17)13(19)20/h3-6,11,14H,1-2,7-8H2,(H,19,20).
What are the key properties of 1-[2-[4-(difluoromethoxy)phenyl]acetyl]pyrrolidine-2-carboxylic acid?
1-[2-[4-(difluoromethoxy)phenyl]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 299.27 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(difluoromethoxy)phenyl]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43170890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).