8-[(3-fluorocyclohexanecarbonyl)amino]octanoic acid

C15H26FNO3 — CID 122129378

IUPAC8-[(3-fluorocyclohexanecarbonyl)amino]octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)C1CCCC(F)C1
InChIInChI=1S/C15H26FNO3/c16-13-8-6-7-12(11-13)15(20)17-10-5-3-1-2-4-9-14(18)19/h12-13H,1-11H2,(H,17,20)(H,18,19)
InChIKeyNZIFDBJIHBIUBZ-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.06
Rot. Bonds9

About 8-[(3-fluorocyclohexanecarbonyl)amino]octanoic acid

8-[(3-fluorocyclohexanecarbonyl)amino]octanoic acid (PubChem CID 122129378) has the molecular formula C15H26FNO3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 8-[(3-fluorocyclohexanecarbonyl)amino]octanoic acid.

Molecular Properties

Compound Name8-[(3-fluorocyclohexanecarbonyl)amino]octanoic acid
PubChem CID122129378
Molecular FormulaC15H26FNO3
Molecular Weight287.38 g/mol
Exact Mass287.19
IUPAC Name8-[(3-fluorocyclohexanecarbonyl)amino]octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)C1CCCC(F)C1
InChIInChI=1S/C15H26FNO3/c16-13-8-6-7-12(11-13)15(20)17-10-5-3-1-2-4-9-14(18)19/h12-13H,1-11H2,(H,17,20)(H,18,19)
InChIKeyNZIFDBJIHBIUBZ-UHFFFAOYSA-N
XLogP3.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-[(3-fluorocyclohexanecarbonyl)amino]octanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-((Isononoyl)amino)hexanoic acid
CID 166214
4-[(Acetylamino)methyl]cyclohexanecarboxylic acid
CID 82653
2-(1-(Acetamidomethyl)cyclohexyl)acetic acid
CID 5248228
8-[(Cyclohexylcarbonyl)amino]octanoic acid
CID 10149309
2-((Butylamino)carbonyl)cyclohexanecarboxylic acid
CID 4413147
(1r,4r)-4-(Methylcarbamoyl)cyclohexane-1-carboxylic acid
CID 58319709
2-Cyclohexyl-2-(cyclopropylformamido)acetic acid
CID 61013571
2-[(Cyclohexylmethyl)carbamoyl]cyclohexanecarboxylic acid
CID 6467794
6-((2-Ethyl-1-oxohexyl)amino)hexanoic acid
CID 173331
3-(6-Oxopiperidin-3-yl)propanoic acid
CID 42609247
2-Isobutylcarbamoyl-cyclohexanecarboxylic acid
CID 3133162
2-[1-[(2,2-Dimethylpropanoylamino)methyl]cyclohexyl]acetic acid
CID 5248229

Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluorocyclohexanecarbonyl)amino]octanoic acid?
The IUPAC name of 8-[(3-fluorocyclohexanecarbonyl)amino]octanoic acid (CID 122129378) is 8-[(3-fluorocyclohexanecarbonyl)amino]octanoic acid.
What is the SMILES notation for 8-[(3-fluorocyclohexanecarbonyl)amino]octanoic acid?
The canonical SMILES for 8-[(3-fluorocyclohexanecarbonyl)amino]octanoic acid is O=C(O)CCCCCCCNC(=O)C1CCCC(F)C1.
What is the InChIKey of 8-[(3-fluorocyclohexanecarbonyl)amino]octanoic acid?
The InChIKey is NZIFDBJIHBIUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FNO3/c16-13-8-6-7-12(11-13)15(20)17-10-5-3-1-2-4-9-14(18)19/h12-13H,1-11H2,(H,17,20)(H,18,19).
What are the key properties of 8-[(3-fluorocyclohexanecarbonyl)amino]octanoic acid?
8-[(3-fluorocyclohexanecarbonyl)amino]octanoic acid has a molecular weight of 287.38 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-fluorocyclohexanecarbonyl)amino]octanoic acid is sourced from PubChem (CID 122129378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).