2-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

C12H12FNO3 — CID 82389065

IUPAC2-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C1CC(C(=O)O)C(Cc2cccc(F)c2)N1
InChIInChI=1S/C12H12FNO3/c13-8-3-1-2-7(4-8)5-10-9(12(16)17)6-11(15)14-10/h1-4,9-10H,5-6H2,(H,14,15)(H,16,17)
InChIKeyYOFCYUAJFRSVCH-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.96
Rot. Bonds3

About 2-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

2-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 82389065) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID82389065
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name2-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C1CC(C(=O)O)C(Cc2cccc(F)c2)N1
InChIInChI=1S/C12H12FNO3/c13-8-3-1-2-7(4-8)5-10-9(12(16)17)6-11(15)14-10/h1-4,9-10H,5-6H2,(H,14,15)(H,16,17)
InChIKeyYOFCYUAJFRSVCH-UHFFFAOYSA-N
XLogP0.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020336
2-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119181763
3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 83642665
(2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 129366137
4-[(3-fluorophenyl)methyl]cyclohexan-1-one
CID 83262075
(4S)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione
CID 138393631
(4R)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione
CID 138393632
4-(aminomethyl)-5-[(3-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115062497
2-[(3-fluorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106777861
1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone
CID 116582471
3-[(3-fluorophenyl)methyl]oxan-4-ol
CID 71649867
2-(3-fluorophenyl)-5-oxooxolane-3-carboxylic acid
CID 102547443

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid (CID 82389065) is 2-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid is O=C1CC(C(=O)O)C(Cc2cccc(F)c2)N1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is YOFCYUAJFRSVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-8-3-1-2-7(4-8)5-10-9(12(16)17)6-11(15)14-10/h1-4,9-10H,5-6H2,(H,14,15)(H,16,17).
What are the key properties of 2-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
2-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 237.23 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82389065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).