3-[(3-acetamidobenzoyl)amino]-2,2-dimethylpropanoic acid

C14H18N2O4 — CID 81367751

IUPAC3-[(3-acetamidobenzoyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(=O)Nc1cccc(C(=O)NCC(C)(C)C(=O)O)c1
InChIInChI=1S/C14H18N2O4/c1-9(17)16-11-6-4-5-10(7-11)12(18)15-8-14(2,3)13(19)20/h4-7H,8H2,1-3H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyOQYCAGSXHVQAGU-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.49
Rot. Bonds5

About 3-[(3-acetamidobenzoyl)amino]-2,2-dimethylpropanoic acid

3-[(3-acetamidobenzoyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 81367751) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[(3-acetamidobenzoyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(3-acetamidobenzoyl)amino]-2,2-dimethylpropanoic acid
PubChem CID81367751
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[(3-acetamidobenzoyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(=O)Nc1cccc(C(=O)NCC(C)(C)C(=O)O)c1
InChIInChI=1S/C14H18N2O4/c1-9(17)16-11-6-4-5-10(7-11)12(18)15-8-14(2,3)13(19)20/h4-7H,8H2,1-3H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyOQYCAGSXHVQAGU-UHFFFAOYSA-N
XLogP1.49
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 110663941
3-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 75429563
3-[(3-iodobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368761
3-[(3-aminobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 115427957
3-acetamido-N-ethylbenzamide
CID 17230670
3-acetamido-N-prop-2-ynylbenzamide
CID 30601137
3-acetamido-N-(2-amino-2-oxoethyl)benzamide
CID 47116875
2-[(3-acetamidobenzoyl)amino]-2-ethylbutanoic acid
CID 79813329
3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249413
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
3-acetamido-N-(3-aminopropyl)benzamide
CID 82335696
N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108541876

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetamidobenzoyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(3-acetamidobenzoyl)amino]-2,2-dimethylpropanoic acid (CID 81367751) is 3-[(3-acetamidobenzoyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(3-acetamidobenzoyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(3-acetamidobenzoyl)amino]-2,2-dimethylpropanoic acid is CC(=O)Nc1cccc(C(=O)NCC(C)(C)C(=O)O)c1.
What is the InChIKey of 3-[(3-acetamidobenzoyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is OQYCAGSXHVQAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(17)16-11-6-4-5-10(7-11)12(18)15-8-14(2,3)13(19)20/h4-7H,8H2,1-3H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 3-[(3-acetamidobenzoyl)amino]-2,2-dimethylpropanoic acid?
3-[(3-acetamidobenzoyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetamidobenzoyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 81367751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).