2-[[2-amino-2-(4-methylphenyl)acetyl]amino]benzoic acid

C16H16N2O3 — CID 106312235

IUPAC2-[[2-amino-2-(4-methylphenyl)acetyl]amino]benzoic acid
SMILESCc1ccc(C(N)C(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C16H16N2O3/c1-10-6-8-11(9-7-10)14(17)15(19)18-13-5-3-2-4-12(13)16(20)21/h2-9,14H,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyRRKAEKIBRIGVHK-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.33
Rot. Bonds4

About 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]benzoic acid

2-[[2-amino-2-(4-methylphenyl)acetyl]amino]benzoic acid (PubChem CID 106312235) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-amino-2-(4-methylphenyl)acetyl]amino]benzoic acid
PubChem CID106312235
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-[[2-amino-2-(4-methylphenyl)acetyl]amino]benzoic acid
SMILESCc1ccc(C(N)C(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C16H16N2O3/c1-10-6-8-11(9-7-10)14(17)15(19)18-13-5-3-2-4-12(13)16(20)21/h2-9,14H,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyRRKAEKIBRIGVHK-UHFFFAOYSA-N
XLogP2.33
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-amino-2-phenylacetyl]amino]benzoic acid
CID 61157364
2-amino-2-(4-methylphenyl)-N-(2-methylsulfanylphenyl)acetamide
CID 106312111
2-amino-2-(4-methylphenyl)-N-(2-propylphenyl)acetamide
CID 106312114
2-amino-N-(2-bromo-3-pyridinyl)-2-(4-methylphenyl)acetamide
CID 106312918
2-amino-N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)acetamide
CID 106312006
2-amino-N-(2,3-dimethylphenyl)-2-phenylacetamide
CID 24694954
(2R)-2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 81357033
(2S)-2-amino-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide
CID 104897233
(2R)-2-amino-N-(5-methyl-2-pyridinyl)-2-phenylacetamide
CID 61148111
2-amino-2-(4-methylphenyl)-N-phenylmethoxyacetamide
CID 106151599
2-[(2,4-diamino-4-oxobutanoyl)amino]benzoic acid
CID 61157183
2-amino-N-(2-tert-butylphenyl)-2-phenylacetamide
CID 43702622

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]benzoic acid (CID 106312235) is 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]benzoic acid is Cc1ccc(C(N)C(=O)Nc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]benzoic acid?
The InChIKey is RRKAEKIBRIGVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-6-8-11(9-7-10)14(17)15(19)18-13-5-3-2-4-12(13)16(20)21/h2-9,14H,17H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]benzoic acid?
2-[[2-amino-2-(4-methylphenyl)acetyl]amino]benzoic acid has a molecular weight of 284.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 106312235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).