1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid

C15H16FNO3 — CID 63007283

IUPAC1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C15H16FNO3/c16-12-3-1-11(2-4-12)15(6-7-15)14(20)17-8-5-10(9-17)13(18)19/h1-4,10H,5-9H2,(H,18,19)
InChIKeyRMRPDLIUTJCCME-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.79
Rot. Bonds3

About 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid

1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 63007283) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
PubChem CID63007283
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C15H16FNO3/c16-12-3-1-11(2-4-12)15(6-7-15)14(20)17-8-5-10(9-17)13(18)19/h1-4,10H,5-9H2,(H,18,19)
InChIKeyRMRPDLIUTJCCME-UHFFFAOYSA-N
XLogP1.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid (CID 63007283) is 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)C2(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RMRPDLIUTJCCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c16-12-3-1-11(2-4-12)15(6-7-15)14(20)17-8-5-10(9-17)13(18)19/h1-4,10H,5-9H2,(H,18,19).
What are the key properties of 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid?
1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 277.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63007283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).