3-[ethyl(methyl)amino]-5-hydroxybenzoic acid

C10H13NO3 — CID 54216007

IUPAC3-[ethyl(methyl)amino]-5-hydroxybenzoic acid
SMILESCCN(C)c1cc(O)cc(C(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-3-11(2)8-4-7(10(13)14)5-9(12)6-8/h4-6,12H,3H2,1-2H3,(H,13,14)
InChIKeyPZFIWWHIBLWBRS-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.55
Rot. Bonds3

About 3-[ethyl(methyl)amino]-5-hydroxybenzoic acid

3-[ethyl(methyl)amino]-5-hydroxybenzoic acid (PubChem CID 54216007) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-[ethyl(methyl)amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[ethyl(methyl)amino]-5-hydroxybenzoic acid
PubChem CID54216007
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-[ethyl(methyl)amino]-5-hydroxybenzoic acid
SMILESCCN(C)c1cc(O)cc(C(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-3-11(2)8-4-7(10(13)14)5-9(12)6-8/h4-6,12H,3H2,1-2H3,(H,13,14)
InChIKeyPZFIWWHIBLWBRS-UHFFFAOYSA-N
XLogP1.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(methyl)amino]-5-hydroxybenzoic acid?
The IUPAC name of 3-[ethyl(methyl)amino]-5-hydroxybenzoic acid (CID 54216007) is 3-[ethyl(methyl)amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 3-[ethyl(methyl)amino]-5-hydroxybenzoic acid?
The canonical SMILES for 3-[ethyl(methyl)amino]-5-hydroxybenzoic acid is CCN(C)c1cc(O)cc(C(=O)O)c1.
What is the InChIKey of 3-[ethyl(methyl)amino]-5-hydroxybenzoic acid?
The InChIKey is PZFIWWHIBLWBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-11(2)8-4-7(10(13)14)5-9(12)6-8/h4-6,12H,3H2,1-2H3,(H,13,14).
What are the key properties of 3-[ethyl(methyl)amino]-5-hydroxybenzoic acid?
3-[ethyl(methyl)amino]-5-hydroxybenzoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methyl)amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 54216007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).