2-[(3,5-dihydroxybenzoyl)amino]-2-methylpropanoic acid

C11H13NO5 — CID 107702490

IUPAC2-[(3,5-dihydroxybenzoyl)amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1cc(O)cc(O)c1)C(=O)O
InChIInChI=1S/C11H13NO5/c1-11(2,10(16)17)12-9(15)6-3-7(13)5-8(14)4-6/h3-5,13-14H,1-2H3,(H,12,15)(H,16,17)
InChIKeyYDYIOQMJYGETSY-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.69
Rot. Bonds3

About 2-[(3,5-dihydroxybenzoyl)amino]-2-methylpropanoic acid

2-[(3,5-dihydroxybenzoyl)amino]-2-methylpropanoic acid (PubChem CID 107702490) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[(3,5-dihydroxybenzoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3,5-dihydroxybenzoyl)amino]-2-methylpropanoic acid
PubChem CID107702490
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name2-[(3,5-dihydroxybenzoyl)amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1cc(O)cc(O)c1)C(=O)O
InChIInChI=1S/C11H13NO5/c1-11(2,10(16)17)12-9(15)6-3-7(13)5-8(14)4-6/h3-5,13-14H,1-2H3,(H,12,15)(H,16,17)
InChIKeyYDYIOQMJYGETSY-UHFFFAOYSA-N
XLogP0.69
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dihydroxybenzoyl)amino]-2-methylpentanoic acid
CID 107702413
3,5-dihydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944768
2-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid
CID 61261520
2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 45122380
2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid
CID 61262617
2-(furan-3-carbonylamino)-2-methylpropanoic acid
CID 61262985
3,5-dihydroxybenzoic acid
CID 66745884
2-[(4-amino-3-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 63188710
2-methyl-2-(quinoline-6-carbonylamino)propanoic acid
CID 62849360
2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 119187408
2-[(4-acetyloxybenzoyl)amino]-2-methylpropanoic acid
CID 11623115
2-[[4-(cyclopropylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
CID 120516012

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dihydroxybenzoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(3,5-dihydroxybenzoyl)amino]-2-methylpropanoic acid (CID 107702490) is 2-[(3,5-dihydroxybenzoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3,5-dihydroxybenzoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3,5-dihydroxybenzoyl)amino]-2-methylpropanoic acid is CC(C)(NC(=O)c1cc(O)cc(O)c1)C(=O)O.
What is the InChIKey of 2-[(3,5-dihydroxybenzoyl)amino]-2-methylpropanoic acid?
The InChIKey is YDYIOQMJYGETSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-11(2,10(16)17)12-9(15)6-3-7(13)5-8(14)4-6/h3-5,13-14H,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 2-[(3,5-dihydroxybenzoyl)amino]-2-methylpropanoic acid?
2-[(3,5-dihydroxybenzoyl)amino]-2-methylpropanoic acid has a molecular weight of 239.23 g/mol, XLogP of 0.69, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dihydroxybenzoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 107702490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).