2-[2-(2-aminocyclohexyl)oxyphenyl]acetic acid

C14H19NO3 — CID 117054327

IUPAC2-[2-(2-aminocyclohexyl)oxyphenyl]acetic acid
SMILESNC1CCCCC1Oc1ccccc1CC(=O)O
InChIInChI=1S/C14H19NO3/c15-11-6-2-4-8-13(11)18-12-7-3-1-5-10(12)9-14(16)17/h1,3,5,7,11,13H,2,4,6,8-9,15H2,(H,16,17)
InChIKeyQHRYRDCYDKHTJX-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.96
Rot. Bonds4

About 2-[2-(2-aminocyclohexyl)oxyphenyl]acetic acid

2-[2-(2-aminocyclohexyl)oxyphenyl]acetic acid (PubChem CID 117054327) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[2-(2-aminocyclohexyl)oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-aminocyclohexyl)oxyphenyl]acetic acid
PubChem CID117054327
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[2-(2-aminocyclohexyl)oxyphenyl]acetic acid
SMILESNC1CCCCC1Oc1ccccc1CC(=O)O
InChIInChI=1S/C14H19NO3/c15-11-6-2-4-8-13(11)18-12-7-3-1-5-10(12)9-14(16)17/h1,3,5,7,11,13H,2,4,6,8-9,15H2,(H,16,17)
InChIKeyQHRYRDCYDKHTJX-UHFFFAOYSA-N
XLogP1.96
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminocyclopentyl)oxybenzoic acid
CID 117053950
trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol
CID 102732480
2-(2-aminocyclohexyl)oxy-6-bromobenzamide
CID 114887759
2-[2-(cyclohexanecarbonyloxy)phenyl]acetic acid
CID 172567319
2-(2-ethoxyphenoxy)cyclopentan-1-amine
CID 16781253
2-[2-(cyclohexylmethoxy)phenyl]acetic acid
CID 11974933
2-[2-(4-oxoazetidin-2-yl)oxyphenyl]acetic acid
CID 121221707
2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine
CID 45283482
trans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol
CID 102735342
2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid
CID 80742277
2-[2-(oxolan-3-yloxy)phenyl]acetic acid
CID 80741380
2-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminocyclohexyl)oxyphenyl]acetic acid?
The IUPAC name of 2-[2-(2-aminocyclohexyl)oxyphenyl]acetic acid (CID 117054327) is 2-[2-(2-aminocyclohexyl)oxyphenyl]acetic acid.
What is the SMILES notation for 2-[2-(2-aminocyclohexyl)oxyphenyl]acetic acid?
The canonical SMILES for 2-[2-(2-aminocyclohexyl)oxyphenyl]acetic acid is NC1CCCCC1Oc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-(2-aminocyclohexyl)oxyphenyl]acetic acid?
The InChIKey is QHRYRDCYDKHTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c15-11-6-2-4-8-13(11)18-12-7-3-1-5-10(12)9-14(16)17/h1,3,5,7,11,13H,2,4,6,8-9,15H2,(H,16,17).
What are the key properties of 2-[2-(2-aminocyclohexyl)oxyphenyl]acetic acid?
2-[2-(2-aminocyclohexyl)oxyphenyl]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminocyclohexyl)oxyphenyl]acetic acid is sourced from PubChem (CID 117054327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).