2-[(3-acetamidobenzoyl)-tert-butylamino]acetic acid

C15H20N2O4 — CID 79264867

IUPAC2-[(3-acetamidobenzoyl)-tert-butylamino]acetic acid
SMILESCC(=O)Nc1cccc(C(=O)N(CC(=O)O)C(C)(C)C)c1
InChIInChI=1S/C15H20N2O4/c1-10(18)16-12-7-5-6-11(8-12)14(21)17(9-13(19)20)15(2,3)4/h5-8H,9H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyPLJRJGIQASOMBF-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.97
Rot. Bonds4

About 2-[(3-acetamidobenzoyl)-tert-butylamino]acetic acid

2-[(3-acetamidobenzoyl)-tert-butylamino]acetic acid (PubChem CID 79264867) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[(3-acetamidobenzoyl)-tert-butylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-acetamidobenzoyl)-tert-butylamino]acetic acid
PubChem CID79264867
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[(3-acetamidobenzoyl)-tert-butylamino]acetic acid
SMILESCC(=O)Nc1cccc(C(=O)N(CC(=O)O)C(C)(C)C)c1
InChIInChI=1S/C15H20N2O4/c1-10(18)16-12-7-5-6-11(8-12)14(21)17(9-13(19)20)15(2,3)4/h5-8H,9H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyPLJRJGIQASOMBF-UHFFFAOYSA-N
XLogP1.97
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-acetamidobenzoyl)-tert-butylamino]acetic 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

2-[tert-butyl-(3-iodobenzoyl)amino]acetic acid
CID 79265858
N-(3-acetamidophenyl)-2-[acetyl(tert-butyl)amino]acetamide
CID 113166199
3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide
CID 51172752
3-[(3-acetamidobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81367751
3-acetamido-N-ethyl-N-phenylbenzamide
CID 17221925
3-acetamido-N-methyl-N-(2-methylpropyl)benzamide
CID 47163271
3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 110663941
2-[(3-acetylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62818347
2-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119136391
3-acetamido-N-ethylbenzamide
CID 17230670
3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide
CID 134063370
3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837465

Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetamidobenzoyl)-tert-butylamino]acetic acid?
The IUPAC name of 2-[(3-acetamidobenzoyl)-tert-butylamino]acetic acid (CID 79264867) is 2-[(3-acetamidobenzoyl)-tert-butylamino]acetic acid.
What is the SMILES notation for 2-[(3-acetamidobenzoyl)-tert-butylamino]acetic acid?
The canonical SMILES for 2-[(3-acetamidobenzoyl)-tert-butylamino]acetic acid is CC(=O)Nc1cccc(C(=O)N(CC(=O)O)C(C)(C)C)c1.
What is the InChIKey of 2-[(3-acetamidobenzoyl)-tert-butylamino]acetic acid?
The InChIKey is PLJRJGIQASOMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(18)16-12-7-5-6-11(8-12)14(21)17(9-13(19)20)15(2,3)4/h5-8H,9H2,1-4H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(3-acetamidobenzoyl)-tert-butylamino]acetic acid?
2-[(3-acetamidobenzoyl)-tert-butylamino]acetic acid has a molecular weight of 292.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetamidobenzoyl)-tert-butylamino]acetic acid is sourced from PubChem (CID 79264867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).