1-(2-carbamoyl-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid

C13H15FN2O3 — CID 79512519

IUPAC1-(2-carbamoyl-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2cccc(F)c2C(N)=O)C1
InChIInChI=1S/C13H15FN2O3/c1-13(12(18)19)5-6-16(7-13)9-4-2-3-8(14)10(9)11(15)17/h2-4H,5-7H2,1H3,(H2,15,17)(H,18,19)
InChIKeyDDPRLOPESNUQLY-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.23
Rot. Bonds3

About 1-(2-carbamoyl-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid

1-(2-carbamoyl-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 79512519) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-(2-carbamoyl-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-carbamoyl-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID79512519
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name1-(2-carbamoyl-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2cccc(F)c2C(N)=O)C1
InChIInChI=1S/C13H15FN2O3/c1-13(12(18)19)5-6-16(7-13)9-4-2-3-8(14)10(9)11(15)17/h2-4H,5-7H2,1H3,(H2,15,17)(H,18,19)
InChIKeyDDPRLOPESNUQLY-UHFFFAOYSA-N
XLogP1.23
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamoyl-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-carbamoyl-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid (CID 79512519) is 1-(2-carbamoyl-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-carbamoyl-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-carbamoyl-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(c2cccc(F)c2C(N)=O)C1.
What is the InChIKey of 1-(2-carbamoyl-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is DDPRLOPESNUQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-13(12(18)19)5-6-16(7-13)9-4-2-3-8(14)10(9)11(15)17/h2-4H,5-7H2,1H3,(H2,15,17)(H,18,19).
What are the key properties of 1-(2-carbamoyl-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(2-carbamoyl-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 266.27 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamoyl-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79512519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).