5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2-hydroxybenzoic acid

C13H14N4O4 — CID 115290303

IUPAC5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2-hydroxybenzoic acid
SMILESCn1cc(C(N)C(=O)Nc2ccc(O)c(C(=O)O)c2)cn1
InChIInChI=1S/C13H14N4O4/c1-17-6-7(5-15-17)11(14)12(19)16-8-2-3-10(18)9(4-8)13(20)21/h2-6,11,18H,14H2,1H3,(H,16,19)(H,20,21)
InChIKeySWNHPLCJPXJFTE-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.46
Rot. Bonds4

About 5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2-hydroxybenzoic acid

5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2-hydroxybenzoic acid (PubChem CID 115290303) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2-hydroxybenzoic acid
PubChem CID115290303
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2-hydroxybenzoic acid
SMILESCn1cc(C(N)C(=O)Nc2ccc(O)c(C(=O)O)c2)cn1
InChIInChI=1S/C13H14N4O4/c1-17-6-7(5-15-17)11(14)12(19)16-8-2-3-10(18)9(4-8)13(20)21/h2-6,11,18H,14H2,1H3,(H,16,19)(H,20,21)
InChIKeySWNHPLCJPXJFTE-UHFFFAOYSA-N
XLogP0.46
TPSA130.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289709
2-amino-N-(3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289627
2-amino-N-(3-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 113279787
2-amino-N-(3,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289637
2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290771
2-amino-N-(4-fluoro-3-nitrophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289947
2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 107574153
2-amino-N-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 114254664
5-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxybenzoic acid
CID 79012462
5-[(2-amino-3-methylbutanoyl)amino]-2-hydroxybenzoic acid
CID 61159504
2-amino-2-(1-methylpyrazol-4-yl)-N-quinolin-3-ylacetamide
CID 115289913
2-amino-2-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 115289678

Frequently Asked Questions

What is the IUPAC name of 5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2-hydroxybenzoic acid (CID 115290303) is 5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2-hydroxybenzoic acid is Cn1cc(C(N)C(=O)Nc2ccc(O)c(C(=O)O)c2)cn1.
What is the InChIKey of 5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2-hydroxybenzoic acid?
The InChIKey is SWNHPLCJPXJFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-17-6-7(5-15-17)11(14)12(19)16-8-2-3-10(18)9(4-8)13(20)21/h2-6,11,18H,14H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2-hydroxybenzoic acid?
5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2-hydroxybenzoic acid has a molecular weight of 290.28 g/mol, XLogP of 0.46, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 115290303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).