3-[ethyl(methyl)amino]phthalic acid

C11H13NO4 — CID 152622014

IUPAC3-[ethyl(methyl)amino]phthalic acid
SMILESCCN(C)c1cccc(C(=O)O)c1C(=O)O
InChIInChI=1S/C11H13NO4/c1-3-12(2)8-6-4-5-7(10(13)14)9(8)11(15)16/h4-6H,3H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyZBSKSMCACINRNO-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.54
Rot. Bonds4

About 3-[ethyl(methyl)amino]phthalic acid

3-[ethyl(methyl)amino]phthalic acid (PubChem CID 152622014) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-[ethyl(methyl)amino]phthalic acid.

Molecular Properties

Compound Name3-[ethyl(methyl)amino]phthalic acid
PubChem CID152622014
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name3-[ethyl(methyl)amino]phthalic acid
SMILESCCN(C)c1cccc(C(=O)O)c1C(=O)O
InChIInChI=1S/C11H13NO4/c1-3-12(2)8-6-4-5-7(10(13)14)9(8)11(15)16/h4-6H,3H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyZBSKSMCACINRNO-UHFFFAOYSA-N
XLogP1.54
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[ethyl(methyl)amino]phthalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-acetyl-3-[ethyl(methyl)amino]phenyl]ethanone
CID 178000632
3-(2-hydroxypropanoyl)phthalic acid
CID 122441279
3-[(2,3-dicarboxyphenoxy)methoxy]phthalic acid
CID 166559177
3-(diethylamino)-2-methylbenzoic acid;hydrochloride
CID 139904487
2-[2-(diethylamino)benzoyl]benzoic acid
CID 151183453
2-[ethyl(methyl)amino]-4-methylbenzoic acid
CID 62703009
barium(2+);benzene-1,2,3-tricarboxylic acid;hydride
CID 174613618
potassium;benzene-1,2,3-tricarboxylic acid;hydride
CID 174768168
4-[ethyl(methyl)amino]pyridine-3-carboxylic acid
CID 81233141
N,N-diethylethanamine;3-nitrophthalic acid
CID 173102006
2,3-bis(dimethylamino)benzoic acid
CID 19707647
2-[ethyl(methyl)amino]-4-methoxybenzoic acid
CID 81304499

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(methyl)amino]phthalic acid?
The IUPAC name of 3-[ethyl(methyl)amino]phthalic acid (CID 152622014) is 3-[ethyl(methyl)amino]phthalic acid.
What is the SMILES notation for 3-[ethyl(methyl)amino]phthalic acid?
The canonical SMILES for 3-[ethyl(methyl)amino]phthalic acid is CCN(C)c1cccc(C(=O)O)c1C(=O)O.
What is the InChIKey of 3-[ethyl(methyl)amino]phthalic acid?
The InChIKey is ZBSKSMCACINRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-3-12(2)8-6-4-5-7(10(13)14)9(8)11(15)16/h4-6H,3H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-[ethyl(methyl)amino]phthalic acid?
3-[ethyl(methyl)amino]phthalic acid has a molecular weight of 223.23 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methyl)amino]phthalic acid is sourced from PubChem (CID 152622014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).