1-[3-(dimethylamino)phenyl]cyclopropane-1-carboxylic acid

C12H15NO2 — CID 82026931

IUPAC1-[3-(dimethylamino)phenyl]cyclopropane-1-carboxylic acid
SMILESCN(C)c1cccc(C2(C(=O)O)CC2)c1
InChIInChI=1S/C12H15NO2/c1-13(2)10-5-3-4-9(8-10)12(6-7-12)11(14)15/h3-5,8H,6-7H2,1-2H3,(H,14,15)
InChIKeyMPWDVWYEFZBRHE-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.87
Rot. Bonds3

About 1-[3-(dimethylamino)phenyl]cyclopropane-1-carboxylic acid

1-[3-(dimethylamino)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 82026931) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]cyclopropane-1-carboxylic acid
PubChem CID82026931
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-[3-(dimethylamino)phenyl]cyclopropane-1-carboxylic acid
SMILESCN(C)c1cccc(C2(C(=O)O)CC2)c1
InChIInChI=1S/C12H15NO2/c1-13(2)10-5-3-4-9(8-10)12(6-7-12)11(14)15/h3-5,8H,6-7H2,1-2H3,(H,14,15)
InChIKeyMPWDVWYEFZBRHE-UHFFFAOYSA-N
XLogP1.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[3-(dimethylamino)phenyl]cyclopropane-1-carboxylic acid (CID 82026931) is 1-[3-(dimethylamino)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]cyclopropane-1-carboxylic acid is CN(C)c1cccc(C2(C(=O)O)CC2)c1.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is MPWDVWYEFZBRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13(2)10-5-3-4-9(8-10)12(6-7-12)11(14)15/h3-5,8H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 1-[3-(dimethylamino)phenyl]cyclopropane-1-carboxylic acid?
1-[3-(dimethylamino)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82026931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).