2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid

C16H18N2O3 — CID 102907729

IUPAC2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid
SMILESCOCCc1ccccc1Nc1cccc(C(=O)O)c1N
InChIInChI=1S/C16H18N2O3/c1-21-10-9-11-5-2-3-7-13(11)18-14-8-4-6-12(15(14)17)16(19)20/h2-8,18H,9-10,17H2,1H3,(H,19,20)
InChIKeyXDBIZYNOFVVHDB-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.90
Rot. Bonds6

About 2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid

2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid (PubChem CID 102907729) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid.

Molecular Properties

Compound Name2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid
PubChem CID102907729
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid
SMILESCOCCc1ccccc1Nc1cccc(C(=O)O)c1N
InChIInChI=1S/C16H18N2O3/c1-21-10-9-11-5-2-3-7-13(11)18-14-8-4-6-12(15(14)17)16(19)20/h2-8,18H,9-10,17H2,1H3,(H,19,20)
InChIKeyXDBIZYNOFVVHDB-UHFFFAOYSA-N
XLogP2.90
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid
CID 103268818
2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbenzamide
CID 102903119
methyl 2-amino-3-(2-ethylanilino)benzoate
CID 115544520
2-amino-3-(2-ethylanilino)benzamide
CID 113332482
2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102906466
(E)-3-[2-(2-methoxyethyl)anilino]prop-2-enoic acid
CID 103268817
2-[2-(2-hydroxyethyl)anilino]benzoic acid
CID 10956213
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid
CID 103268791
2-amino-3-(4-methylsulfanylanilino)benzoic acid
CID 113332415
6-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3,6-triamine
CID 102903466
4-N-[2-(2-methoxyethyl)phenyl]pyridine-3,4-diamine
CID 102903431

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid?
The IUPAC name of 2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid (CID 102907729) is 2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid.
What is the SMILES notation for 2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid?
The canonical SMILES for 2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid is COCCc1ccccc1Nc1cccc(C(=O)O)c1N.
What is the InChIKey of 2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid?
The InChIKey is XDBIZYNOFVVHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-10-9-11-5-2-3-7-13(11)18-14-8-4-6-12(15(14)17)16(19)20/h2-8,18H,9-10,17H2,1H3,(H,19,20).
What are the key properties of 2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid?
2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid has a molecular weight of 286.33 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid is sourced from PubChem (CID 102907729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).