5-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybenzoic acid

C14H20N2O4 — CID 104829215

IUPAC5-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybenzoic acid
SMILESCC(NC(=O)Nc1ccc(O)c(C(=O)O)c1)C(C)(C)C
InChIInChI=1S/C14H20N2O4/c1-8(14(2,3)4)15-13(20)16-9-5-6-11(17)10(7-9)12(18)19/h5-8,17H,1-4H3,(H,18,19)(H2,15,16,20)
InChIKeyIEMCLAPYLDBXKF-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.65
Rot. Bonds3

About 5-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybenzoic acid

5-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybenzoic acid (PubChem CID 104829215) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybenzoic acid
PubChem CID104829215
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name5-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybenzoic acid
SMILESCC(NC(=O)Nc1ccc(O)c(C(=O)O)c1)C(C)(C)C
InChIInChI=1S/C14H20N2O4/c1-8(14(2,3)4)15-13(20)16-9-5-6-11(17)10(7-9)12(18)19/h5-8,17H,1-4H3,(H,18,19)(H2,15,16,20)
InChIKeyIEMCLAPYLDBXKF-UHFFFAOYSA-N
XLogP2.65
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-(3,3-dimethylbutan-2-ylcarbamoylamino)-2,3-dimethylbenzoic acid
CID 104829296
1-(3,4-difluorophenyl)-3-(3,3-dimethylbutan-2-yl)urea
CID 3763326
5-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxybenzoic acid
CID 79012462
5-[(2-amino-3-methylbutanoyl)amino]-2-hydroxybenzoic acid
CID 61159504
2-hydroxy-5-[2-(2,2,4-trimethylpentanoylamino)ethylcarbamoylamino]benzoic acid
CID 143924829
2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 10377562
2-[4-(3,3-dimethylbutan-2-ylcarbamoylamino)phenyl]acetic acid
CID 104829403
2-(3,3-dimethylbutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 113457894
5-(3,3-dimethylbutan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
CID 113457986
2-bromo-5-(3-methylbutan-2-ylcarbamoylamino)benzoic acid
CID 113281201
5-(3,3-dimethylbutan-2-ylsulfamoyl)-2-hydroxybenzoic acid
CID 104827574
2-(3,3-dimethylbutan-2-ylcarbamoylamino)-5-methoxybenzoic acid
CID 104829305

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybenzoic acid?
The IUPAC name of 5-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybenzoic acid (CID 104829215) is 5-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybenzoic acid is CC(NC(=O)Nc1ccc(O)c(C(=O)O)c1)C(C)(C)C.
What is the InChIKey of 5-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybenzoic acid?
The InChIKey is IEMCLAPYLDBXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-8(14(2,3)4)15-13(20)16-9-5-6-11(17)10(7-9)12(18)19/h5-8,17H,1-4H3,(H,18,19)(H2,15,16,20).
What are the key properties of 5-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybenzoic acid?
5-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybenzoic acid has a molecular weight of 280.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybenzoic acid is sourced from PubChem (CID 104829215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).