3-[(4-cyanophenyl)methoxy]cyclobutane-1-carboxylic acid

C13H13NO3 — CID 58557319

IUPAC3-[(4-cyanophenyl)methoxy]cyclobutane-1-carboxylic acid
SMILESN#Cc1ccc(COC2CC(C(=O)O)C2)cc1
InChIInChI=1S/C13H13NO3/c14-7-9-1-3-10(4-2-9)8-17-12-5-11(6-12)13(15)16/h1-4,11-12H,5-6,8H2,(H,15,16)
InChIKeyCGJAUEHOHQDZPV-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.94
Rot. Bonds4

About 3-[(4-cyanophenyl)methoxy]cyclobutane-1-carboxylic acid

3-[(4-cyanophenyl)methoxy]cyclobutane-1-carboxylic acid (PubChem CID 58557319) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-[(4-cyanophenyl)methoxy]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-cyanophenyl)methoxy]cyclobutane-1-carboxylic acid
PubChem CID58557319
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name3-[(4-cyanophenyl)methoxy]cyclobutane-1-carboxylic acid
SMILESN#Cc1ccc(COC2CC(C(=O)O)C2)cc1
InChIInChI=1S/C13H13NO3/c14-7-9-1-3-10(4-2-9)8-17-12-5-11(6-12)13(15)16/h1-4,11-12H,5-6,8H2,(H,15,16)
InChIKeyCGJAUEHOHQDZPV-UHFFFAOYSA-N
XLogP1.94
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-cyanophenyl)methoxy]piperidine-1-carboxylic acid
CID 68790675
4-(oxan-4-yloxymethyl)benzonitrile
CID 55139138
3-phenylmethoxycyclobutane-1-carboxamide
CID 121012391
4-[[(4-cyanophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532389
2-[2-(4-cyanophenyl)acetyl]cyclopropane-1-carboxylic acid
CID 70111090
1-[(4-cyanophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
CID 71432530
1-[(4-cyanophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744930
3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
CID 66031561
1-[(4-cyanophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 55149332
(2R,4R)-N-(4-cyanophenyl)-4-[(4-isocyanophenyl)methoxy]pyrrolidine-2-carboxamide
CID 123489231
(4-cyanophenyl)methyl 2-cyclopentylacetate
CID 2405362
(4-cyanophenyl)methoxy-hydroxy-oxophosphanium
CID 67743268

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyanophenyl)methoxy]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[(4-cyanophenyl)methoxy]cyclobutane-1-carboxylic acid (CID 58557319) is 3-[(4-cyanophenyl)methoxy]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-cyanophenyl)methoxy]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[(4-cyanophenyl)methoxy]cyclobutane-1-carboxylic acid is N#Cc1ccc(COC2CC(C(=O)O)C2)cc1.
What is the InChIKey of 3-[(4-cyanophenyl)methoxy]cyclobutane-1-carboxylic acid?
The InChIKey is CGJAUEHOHQDZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c14-7-9-1-3-10(4-2-9)8-17-12-5-11(6-12)13(15)16/h1-4,11-12H,5-6,8H2,(H,15,16).
What are the key properties of 3-[(4-cyanophenyl)methoxy]cyclobutane-1-carboxylic acid?
3-[(4-cyanophenyl)methoxy]cyclobutane-1-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyanophenyl)methoxy]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 58557319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).