2-(2-amino-3-fluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid

C15H18FNO2 — CID 106987792

IUPAC2-(2-amino-3-fluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid
SMILESNc1c(F)cccc1C(C(=O)O)C1CC2CCC1C2
InChIInChI=1S/C15H18FNO2/c16-12-3-1-2-10(14(12)17)13(15(18)19)11-7-8-4-5-9(11)6-8/h1-3,8-9,11,13H,4-7,17H2,(H,18,19)
InChIKeyBJJUQCXGXBSVSR-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.01
Rot. Bonds3

About 2-(2-amino-3-fluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid

2-(2-amino-3-fluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid (PubChem CID 106987792) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-(2-amino-3-fluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-3-fluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid
PubChem CID106987792
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name2-(2-amino-3-fluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid
SMILESNc1c(F)cccc1C(C(=O)O)C1CC2CCC1C2
InChIInChI=1S/C15H18FNO2/c16-12-3-1-2-10(14(12)17)13(15(18)19)11-7-8-4-5-9(11)6-8/h1-3,8-9,11,13H,4-7,17H2,(H,18,19)
InChIKeyBJJUQCXGXBSVSR-UHFFFAOYSA-N
XLogP3.01
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-chlorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid
CID 106987790
2-(2-amino-3-fluorophenyl)-2-(2,2-dimethylcyclohexyl)acetic acid
CID 106988135
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-fluorobenzoic acid
CID 79522510
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-fluorobenzoic acid
CID 63538624
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)ethanol
CID 63017529
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)sulfanylethanamine
CID 114245897
N-[(2S)-1-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 98684028
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-fluorobenzenecarbothioamide
CID 79513138
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 98750861
2-bicyclo[2.2.1]heptanyl-(2,3-dimethylphenyl)methanamine
CID 113383478
[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate
CID 4287753
1-(2-bicyclo[2.2.1]heptanyl)ethanamine;pyridine-4-carboxylic acid
CID 21204164

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-fluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid?
The IUPAC name of 2-(2-amino-3-fluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid (CID 106987792) is 2-(2-amino-3-fluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid.
What is the SMILES notation for 2-(2-amino-3-fluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid?
The canonical SMILES for 2-(2-amino-3-fluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid is Nc1c(F)cccc1C(C(=O)O)C1CC2CCC1C2.
What is the InChIKey of 2-(2-amino-3-fluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid?
The InChIKey is BJJUQCXGXBSVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-12-3-1-2-10(14(12)17)13(15(18)19)11-7-8-4-5-9(11)6-8/h1-3,8-9,11,13H,4-7,17H2,(H,18,19).
What are the key properties of 2-(2-amino-3-fluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid?
2-(2-amino-3-fluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid has a molecular weight of 263.31 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-fluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid is sourced from PubChem (CID 106987792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).