2-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid

C12H15NO4 — CID 79792550

IUPAC2-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C12H15NO4/c1-3-12(2,11(16)17)13-10(15)8-4-6-9(14)7-5-8/h4-7,14H,3H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyAHRHPIBYWHHTIQ-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.38
Rot. Bonds4

About 2-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid

2-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid (PubChem CID 79792550) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid
PubChem CID79792550
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C12H15NO4/c1-3-12(2,11(16)17)13-10(15)8-4-6-9(14)7-5-8/h4-7,14H,3H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyAHRHPIBYWHHTIQ-UHFFFAOYSA-N
XLogP1.38
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]butanoic acid
CID 120518474
2-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]butanoic acid
CID 79792554
2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-2-methylbutanoic acid
CID 119199136
2-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-2-methylbutanoic acid
CID 108807858
2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-2-methylbutanoic acid
CID 119199013
2-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
CID 114819103
2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic acid
CID 82832526
2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 79793464
3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120531734
2-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
CID 119199358
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-hydroxybenzamide
CID 61126113
2-[(3,5-dihydroxybenzoyl)amino]-2-methylpentanoic acid
CID 107702413

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid (CID 79792550) is 2-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid is CCC(C)(NC(=O)c1ccc(O)cc1)C(=O)O.
What is the InChIKey of 2-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid?
The InChIKey is AHRHPIBYWHHTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-12(2,11(16)17)13-10(15)8-4-6-9(14)7-5-8/h4-7,14H,3H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid?
2-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 79792550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).