2-[[2-(3-aminophenyl)acetyl]-methylamino]benzoic acid

C16H16N2O3 — CID 65349872

IUPAC2-[[2-(3-aminophenyl)acetyl]-methylamino]benzoic acid
SMILESCN(C(=O)Cc1cccc(N)c1)c1ccccc1C(=O)O
InChIInChI=1S/C16H16N2O3/c1-18(14-8-3-2-7-13(14)16(20)21)15(19)10-11-5-4-6-12(17)9-11/h2-9H,10,17H2,1H3,(H,20,21)
InChIKeyZRPBCPRJUDLNJA-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.17
Rot. Bonds4

About 2-[[2-(3-aminophenyl)acetyl]-methylamino]benzoic acid

2-[[2-(3-aminophenyl)acetyl]-methylamino]benzoic acid (PubChem CID 65349872) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[[2-(3-aminophenyl)acetyl]-methylamino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(3-aminophenyl)acetyl]-methylamino]benzoic acid
PubChem CID65349872
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-[[2-(3-aminophenyl)acetyl]-methylamino]benzoic acid
SMILESCN(C(=O)Cc1cccc(N)c1)c1ccccc1C(=O)O
InChIInChI=1S/C16H16N2O3/c1-18(14-8-3-2-7-13(14)16(20)21)15(19)10-11-5-4-6-12(17)9-11/h2-9H,10,17H2,1H3,(H,20,21)
InChIKeyZRPBCPRJUDLNJA-UHFFFAOYSA-N
XLogP2.17
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-(2-pyridin-3-ylacetyl)amino]benzoic acid
CID 62689152
2-(3-aminophenyl)-N-(2,4-dimethylphenyl)-N-methylacetamide
CID 62500171
2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide
CID 62499334
2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid
CID 80743167
2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide
CID 62499017
2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide
CID 62498844
5-amino-2-[methyl-(2-thiophen-3-ylacetyl)amino]benzoic acid
CID 63116613
2-[3-methoxypropanoyl(methyl)amino]benzoic acid
CID 55023389
2-[(3-amino-3-methylbutanoyl)-methylamino]benzoic acid
CID 64677769
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
2-[methyl-[methyl(pentan-3-yl)carbamoyl]amino]benzoic acid
CID 61201956
2-[(2-aminobenzoyl)-methylamino]benzoic acid
CID 12819851

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-aminophenyl)acetyl]-methylamino]benzoic acid?
The IUPAC name of 2-[[2-(3-aminophenyl)acetyl]-methylamino]benzoic acid (CID 65349872) is 2-[[2-(3-aminophenyl)acetyl]-methylamino]benzoic acid.
What is the SMILES notation for 2-[[2-(3-aminophenyl)acetyl]-methylamino]benzoic acid?
The canonical SMILES for 2-[[2-(3-aminophenyl)acetyl]-methylamino]benzoic acid is CN(C(=O)Cc1cccc(N)c1)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-(3-aminophenyl)acetyl]-methylamino]benzoic acid?
The InChIKey is ZRPBCPRJUDLNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-18(14-8-3-2-7-13(14)16(20)21)15(19)10-11-5-4-6-12(17)9-11/h2-9H,10,17H2,1H3,(H,20,21).
What are the key properties of 2-[[2-(3-aminophenyl)acetyl]-methylamino]benzoic acid?
2-[[2-(3-aminophenyl)acetyl]-methylamino]benzoic acid has a molecular weight of 284.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-aminophenyl)acetyl]-methylamino]benzoic acid is sourced from PubChem (CID 65349872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).