1-[4-(dimethylamino)phenyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C14H19NO2 — CID 83487416

IUPAC1-[4-(dimethylamino)phenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCN(C)c1ccc(C2(C(=O)O)CC2(C)C)cc1
InChIInChI=1S/C14H19NO2/c1-13(2)9-14(13,12(16)17)10-5-7-11(8-6-10)15(3)4/h5-8H,9H2,1-4H3,(H,16,17)
InChIKeyFYSWACHNEKQUNY-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.50
Rot. Bonds3

About 1-[4-(dimethylamino)phenyl]-2,2-dimethylcyclopropane-1-carboxylic acid

1-[4-(dimethylamino)phenyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 83487416) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID83487416
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[4-(dimethylamino)phenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCN(C)c1ccc(C2(C(=O)O)CC2(C)C)cc1
InChIInChI=1S/C14H19NO2/c1-13(2)9-14(13,12(16)17)10-5-7-11(8-6-10)15(3)4/h5-8H,9H2,1-4H3,(H,16,17)
InChIKeyFYSWACHNEKQUNY-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 83487416) is 1-[4-(dimethylamino)phenyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CN(C)c1ccc(C2(C(=O)O)CC2(C)C)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is FYSWACHNEKQUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-13(2)9-14(13,12(16)17)10-5-7-11(8-6-10)15(3)4/h5-8H,9H2,1-4H3,(H,16,17).
What are the key properties of 1-[4-(dimethylamino)phenyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
1-[4-(dimethylamino)phenyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 83487416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).