1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid

C16H20FNO3 — CID 79635234

IUPAC1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(NC2CC2)CCCC(Oc2cccc(F)c2)C1
InChIInChI=1S/C16H20FNO3/c17-11-3-1-4-13(9-11)21-14-5-2-8-16(10-14,15(19)20)18-12-6-7-12/h1,3-4,9,12,14,18H,2,5-8,10H2,(H,19,20)
InChIKeyNGLWBHHOOUYQMP-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.72
Rot. Bonds5

About 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid

1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid (PubChem CID 79635234) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
PubChem CID79635234
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(NC2CC2)CCCC(Oc2cccc(F)c2)C1
InChIInChI=1S/C16H20FNO3/c17-11-3-1-4-13(9-11)21-14-5-2-8-16(10-14,15(19)20)18-12-6-7-12/h1,3-4,9,12,14,18H,2,5-8,10H2,(H,19,20)
InChIKeyNGLWBHHOOUYQMP-UHFFFAOYSA-N
XLogP2.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclopentane-1-carboxylate
CID 79647932
3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 79637419
[1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexyl]methanol
CID 79640349
1-amino-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 79637262
3-(3-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79648303
methyl 1-(cyclopropylamino)-3-phenoxycyclopentane-1-carboxylate
CID 79649233
methyl 3-(3,5-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxylate
CID 79635434
3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 83842692
1-[2-(3-fluorophenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81158051
1-(methylamino)-3-(3-methylsulfonylphenoxy)cyclopentane-1-carboxylic acid
CID 79648143
methyl 3-(3-ethylphenoxy)-1-(methylamino)cyclohexane-1-carboxylate
CID 79634921
1-(cyclopropylamino)-3-(cyclopropylmethoxy)cyclohexane-1-carboxylic acid
CID 79637177

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid (CID 79635234) is 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid is O=C(O)C1(NC2CC2)CCCC(Oc2cccc(F)c2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid?
The InChIKey is NGLWBHHOOUYQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c17-11-3-1-4-13(9-11)21-14-5-2-8-16(10-14,15(19)20)18-12-6-7-12/h1,3-4,9,12,14,18H,2,5-8,10H2,(H,19,20).
What are the key properties of 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid?
1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79635234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).