4-[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]cyclohexane-1-carboxylic acid

C20H28FNO3 — CID 122033506

IUPAC4-[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCC2(Cc3ccc(F)cc3)CCCC2O)CC1
InChIInChI=1S/C20H28FNO3/c21-16-7-3-14(4-8-16)12-20(11-1-2-18(20)23)13-22-17-9-5-15(6-10-17)19(24)25/h3-4,7-8,15,17-18,22-23H,1-2,5-6,9-13H2,(H,24,25)
InChIKeyFNWMBDBZHIYZKK-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.13
Rot. Bonds6

About 4-[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]cyclohexane-1-carboxylic acid

4-[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]cyclohexane-1-carboxylic acid (PubChem CID 122033506) has the molecular formula C20H28FNO3 and a molecular weight of 349.45 g/mol. Its IUPAC name is 4-[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]cyclohexane-1-carboxylic acid
PubChem CID122033506
Molecular FormulaC20H28FNO3
Molecular Weight349.45 g/mol
Exact Mass349.21
IUPAC Name4-[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCC2(Cc3ccc(F)cc3)CCCC2O)CC1
InChIInChI=1S/C20H28FNO3/c21-16-7-3-14(4-8-16)12-20(11-1-2-18(20)23)13-22-17-9-5-15(6-10-17)19(24)25/h3-4,7-8,15,17-18,22-23H,1-2,5-6,9-13H2,(H,24,25)
InChIKeyFNWMBDBZHIYZKK-UHFFFAOYSA-N
XLogP3.13
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]methyl]benzoic acid
CID 122033505
N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide
CID 125138903
N-[[(1R,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]but-2-ynamide
CID 124872719
N-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-pyridin-4-ylacetamide
CID 124721449
(3R)-1-(cyclopropanecarbonyl)-N-[[(1R,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]piperidine-3-carboxamide
CID 100636090
1-[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122011844
N-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 124738221
4-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]cyclohexane-1-carboxylic acid
CID 122032249
4-[(4-fluorophenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61190166
ethyl N-[(2S)-1-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 124860541
N-[[(1R,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-3-(methylsulfamoyl)benzamide
CID 100635936
1-(2-fluorophenyl)-N-[[(1R,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]pyrazole-4-carboxamide
CID 100636068

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]cyclohexane-1-carboxylic acid (CID 122033506) is 4-[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCC2(Cc3ccc(F)cc3)CCCC2O)CC1.
What is the InChIKey of 4-[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is FNWMBDBZHIYZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FNO3/c21-16-7-3-14(4-8-16)12-20(11-1-2-18(20)23)13-22-17-9-5-15(6-10-17)19(24)25/h3-4,7-8,15,17-18,22-23H,1-2,5-6,9-13H2,(H,24,25).
What are the key properties of 4-[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]cyclohexane-1-carboxylic acid?
4-[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 349.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122033506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).