7-[(3-fluoro-5-methylphenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C15H17FN2O3 — CID 79046085

IUPAC7-[(3-fluoro-5-methylphenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCc1cc(F)cc(NC(=O)N2C3CCC2C(C(=O)O)C3)c1
InChIInChI=1S/C15H17FN2O3/c1-8-4-9(16)6-10(5-8)17-15(21)18-11-2-3-13(18)12(7-11)14(19)20/h4-6,11-13H,2-3,7H2,1H3,(H,17,21)(H,19,20)
InChIKeyMUKDWUOPPNBESF-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.60
Rot. Bonds2

About 7-[(3-fluoro-5-methylphenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-[(3-fluoro-5-methylphenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 79046085) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 7-[(3-fluoro-5-methylphenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-[(3-fluoro-5-methylphenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID79046085
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name7-[(3-fluoro-5-methylphenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCc1cc(F)cc(NC(=O)N2C3CCC2C(C(=O)O)C3)c1
InChIInChI=1S/C15H17FN2O3/c1-8-4-9(16)6-10(5-8)17-15(21)18-11-2-3-13(18)12(7-11)14(19)20/h4-6,11-13H,2-3,7H2,1H3,(H,17,21)(H,19,20)
InChIKeyMUKDWUOPPNBESF-UHFFFAOYSA-N
XLogP2.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluoro-5-methylphenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-[(3-fluoro-5-methylphenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 79046085) is 7-[(3-fluoro-5-methylphenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-[(3-fluoro-5-methylphenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-[(3-fluoro-5-methylphenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is Cc1cc(F)cc(NC(=O)N2C3CCC2C(C(=O)O)C3)c1.
What is the InChIKey of 7-[(3-fluoro-5-methylphenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is MUKDWUOPPNBESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-8-4-9(16)6-10(5-8)17-15(21)18-11-2-3-13(18)12(7-11)14(19)20/h4-6,11-13H,2-3,7H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 7-[(3-fluoro-5-methylphenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-[(3-fluoro-5-methylphenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 292.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluoro-5-methylphenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 79046085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).