3-(diethylamino)benzoic acid

C11H15NO2 — CID 11958944

IUPAC3-(diethylamino)benzoic acid
SMILESCCN(CC)c1cccc(C(=O)O)c1
InChIInChI=1S/C11H15NO2/c1-3-12(4-2)10-7-5-6-9(8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyFNCRWFSUYPEDSM-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.23
Rot. Bonds4

About 3-(diethylamino)benzoic acid

3-(diethylamino)benzoic acid (PubChem CID 11958944) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(diethylamino)benzoic acid.

Molecular Properties

Compound Name3-(diethylamino)benzoic acid
PubChem CID11958944
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-(diethylamino)benzoic acid
SMILESCCN(CC)c1cccc(C(=O)O)c1
InChIInChI=1S/C11H15NO2/c1-3-12(4-2)10-7-5-6-9(8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyFNCRWFSUYPEDSM-UHFFFAOYSA-N
XLogP2.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)benzoic acid?
The IUPAC name of 3-(diethylamino)benzoic acid (CID 11958944) is 3-(diethylamino)benzoic acid.
What is the SMILES notation for 3-(diethylamino)benzoic acid?
The canonical SMILES for 3-(diethylamino)benzoic acid is CCN(CC)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-(diethylamino)benzoic acid?
The InChIKey is FNCRWFSUYPEDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-12(4-2)10-7-5-6-9(8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 3-(diethylamino)benzoic acid?
3-(diethylamino)benzoic acid has a molecular weight of 193.25 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)benzoic acid is sourced from PubChem (CID 11958944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).