3-[(2-fluoro-4-hydroxybenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid

C15H16FNO4 — CID 107674940

IUPAC3-[(2-fluoro-4-hydroxybenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(NC1C2CCC(C2)C1C(=O)O)c1ccc(O)cc1F
InChIInChI=1S/C15H16FNO4/c16-11-6-9(18)3-4-10(11)14(19)17-13-8-2-1-7(5-8)12(13)15(20)21/h3-4,6-8,12-13,18H,1-2,5H2,(H,17,19)(H,20,21)
InChIKeyLKLWGNRZZQOEFD-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.76
Rot. Bonds3

About 3-[(2-fluoro-4-hydroxybenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid

3-[(2-fluoro-4-hydroxybenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 107674940) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is 3-[(2-fluoro-4-hydroxybenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-fluoro-4-hydroxybenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID107674940
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name3-[(2-fluoro-4-hydroxybenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(NC1C2CCC(C2)C1C(=O)O)c1ccc(O)cc1F
InChIInChI=1S/C15H16FNO4/c16-11-6-9(18)3-4-10(11)14(19)17-13-8-2-1-7(5-8)12(13)15(20)21/h3-4,6-8,12-13,18H,1-2,5H2,(H,17,19)(H,20,21)
InChIKeyLKLWGNRZZQOEFD-UHFFFAOYSA-N
XLogP1.76
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S,4S,5R,6S)-2-amino-4-[(4-hydroxybenzoyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 60096228
(2S,4R)-4-[(3,5-difluoro-4-hydroxybenzoyl)amino]-2-ethenyl-5-(6-methyl-4-phenylcyclohex-2-en-1-yl)pentanoic acid
CID 144381885
4-[5-[(4-Hydroxy-2,6-dimethylbenzoyl)amino]-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-2-methylbutanoic acid
CID 167046105
3-[(4-Fluorobenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 64376948
3-[(3-Fluorobenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 64377143
3-[(2-Fluorobenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 64377925
3-[1-(4-Fluoro-2-hydroxyphenyl)ethylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 65069457
Methyl 3-[(2-fluoro-4-methoxybenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 72041590
N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-hydroxybenzamide
CID 79882445
3-[1-(5-Fluoro-2-hydroxyphenyl)ethylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 80047078
methyl (1S,2S,3R,4S)-3-[(2-fluoro-4-methoxybenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 98176807
methyl (1S,2S,3S,4S)-3-[(2-fluoro-4-methoxybenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 98176808

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-4-hydroxybenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-[(2-fluoro-4-hydroxybenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 107674940) is 3-[(2-fluoro-4-hydroxybenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-[(2-fluoro-4-hydroxybenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-[(2-fluoro-4-hydroxybenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid is O=C(NC1C2CCC(C2)C1C(=O)O)c1ccc(O)cc1F.
What is the InChIKey of 3-[(2-fluoro-4-hydroxybenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is LKLWGNRZZQOEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c16-11-6-9(18)3-4-10(11)14(19)17-13-8-2-1-7(5-8)12(13)15(20)21/h3-4,6-8,12-13,18H,1-2,5H2,(H,17,19)(H,20,21).
What are the key properties of 3-[(2-fluoro-4-hydroxybenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
3-[(2-fluoro-4-hydroxybenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 293.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-4-hydroxybenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 107674940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).