4-(2-carboxyethylamino)benzoic acid

C10H11NO4 — CID 5155008

IUPAC4-(2-carboxyethylamino)benzoic acid
SMILESO=C(O)CCNc1ccc(C(=O)O)cc1
InChIInChI=1S/C10H11NO4/c12-9(13)5-6-11-8-3-1-7(2-4-8)10(14)15/h1-4,11H,5-6H2,(H,12,13)(H,14,15)
InChIKeyHTHYQFCJTZRJIH-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.27
Rot. Bonds5

About 4-(2-carboxyethylamino)benzoic acid

4-(2-carboxyethylamino)benzoic acid (PubChem CID 5155008) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-(2-carboxyethylamino)benzoic acid.

Molecular Properties

Compound Name4-(2-carboxyethylamino)benzoic acid
PubChem CID5155008
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name4-(2-carboxyethylamino)benzoic acid
SMILESO=C(O)CCNc1ccc(C(=O)O)cc1
InChIInChI=1S/C10H11NO4/c12-9(13)5-6-11-8-3-1-7(2-4-8)10(14)15/h1-4,11H,5-6H2,(H,12,13)(H,14,15)
InChIKeyHTHYQFCJTZRJIH-UHFFFAOYSA-N
XLogP1.27
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-Aminobenzoic Acid
CID 978
Benzonatate
CID 7699
Tetracaine
CID 5411
N-Phenylanthranilic Acid
CID 4386
Enfenamic Acid
CID 31635
N-acetylanthranilic acid
CID 6971
p-Acetamidobenzoic acid
CID 19266
4-(Dimethylamino)benzoic acid
CID 12092
N-(2-carboxyphenyl)glycine
CID 69161
4-(Hexadecylamino)benzoic acid
CID 47263
Diphenylamine-2,2'-dicarboxylic acid
CID 11371
Formylanthranilic acid
CID 101399

Frequently Asked Questions

What is the IUPAC name of 4-(2-carboxyethylamino)benzoic acid?
The IUPAC name of 4-(2-carboxyethylamino)benzoic acid (CID 5155008) is 4-(2-carboxyethylamino)benzoic acid.
What is the SMILES notation for 4-(2-carboxyethylamino)benzoic acid?
The canonical SMILES for 4-(2-carboxyethylamino)benzoic acid is O=C(O)CCNc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(2-carboxyethylamino)benzoic acid?
The InChIKey is HTHYQFCJTZRJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c12-9(13)5-6-11-8-3-1-7(2-4-8)10(14)15/h1-4,11H,5-6H2,(H,12,13)(H,14,15).
What are the key properties of 4-(2-carboxyethylamino)benzoic acid?
4-(2-carboxyethylamino)benzoic acid has a molecular weight of 209.20 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carboxyethylamino)benzoic acid is sourced from PubChem (CID 5155008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).