1-[[2-(2-fluorophenoxy)propanoylamino]methyl]cyclohexane-1-carboxylic acid

C17H22FNO4 — CID 120545014

IUPAC1-[[2-(2-fluorophenoxy)propanoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(Oc1ccccc1F)C(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C17H22FNO4/c1-12(23-14-8-4-3-7-13(14)18)15(20)19-11-17(16(21)22)9-5-2-6-10-17/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,19,20)(H,21,22)
InChIKeyLPMKOFMDKLWUMV-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.74
Rot. Bonds6

About 1-[[2-(2-fluorophenoxy)propanoylamino]methyl]cyclohexane-1-carboxylic acid

1-[[2-(2-fluorophenoxy)propanoylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 120545014) has the molecular formula C17H22FNO4 and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-[[2-(2-fluorophenoxy)propanoylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2-fluorophenoxy)propanoylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID120545014
Molecular FormulaC17H22FNO4
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name1-[[2-(2-fluorophenoxy)propanoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(Oc1ccccc1F)C(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C17H22FNO4/c1-12(23-14-8-4-3-7-13(14)18)15(20)19-11-17(16(21)22)9-5-2-6-10-17/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,19,20)(H,21,22)
InChIKeyLPMKOFMDKLWUMV-UHFFFAOYSA-N
XLogP2.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78956697
2-(2-fluorophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 79037138
tert-butyl N-[[1-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]cyclopentyl]methyl]carbamate
CID 71855047
1-[[2-(4-chlorophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449352
4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107832248
1-[[[2-(difluoromethoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544682
5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid
CID 104682391
1-[2-(2-fluorophenoxy)butanoylamino]cyclohexane-1-carboxylic acid
CID 119168045
1-[2-(2-fluorophenoxy)propyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619056
1-[[2-(4-methoxyphenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449554
2-(2-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318363
2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830406

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-fluorophenoxy)propanoylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2-fluorophenoxy)propanoylamino]methyl]cyclohexane-1-carboxylic acid (CID 120545014) is 1-[[2-(2-fluorophenoxy)propanoylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2-fluorophenoxy)propanoylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2-fluorophenoxy)propanoylamino]methyl]cyclohexane-1-carboxylic acid is CC(Oc1ccccc1F)C(=O)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[2-(2-fluorophenoxy)propanoylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is LPMKOFMDKLWUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO4/c1-12(23-14-8-4-3-7-13(14)18)15(20)19-11-17(16(21)22)9-5-2-6-10-17/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 1-[[2-(2-fluorophenoxy)propanoylamino]methyl]cyclohexane-1-carboxylic acid?
1-[[2-(2-fluorophenoxy)propanoylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 323.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-fluorophenoxy)propanoylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120545014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).