2-(4-hydroxy-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid

C13H13N3O4 — CID 103116535

IUPAC2-(4-hydroxy-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid
SMILESCn1ccc(C(=O)N(CC(=O)O)c2ccc(O)cc2)n1
InChIInChI=1S/C13H13N3O4/c1-15-7-6-11(14-15)13(20)16(8-12(18)19)9-2-4-10(17)5-3-9/h2-7,17H,8H2,1H3,(H,18,19)
InChIKeyUGTRVWVVELERHI-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.86
Rot. Bonds4

About 2-(4-hydroxy-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid

2-(4-hydroxy-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid (PubChem CID 103116535) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-(4-hydroxy-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid
PubChem CID103116535
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2-(4-hydroxy-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid
SMILESCn1ccc(C(=O)N(CC(=O)O)c2ccc(O)cc2)n1
InChIInChI=1S/C13H13N3O4/c1-15-7-6-11(14-15)13(20)16(8-12(18)19)9-2-4-10(17)5-3-9/h2-7,17H,8H2,1H3,(H,18,19)
InChIKeyUGTRVWVVELERHI-UHFFFAOYSA-N
XLogP0.86
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(4-hydroxy-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid (CID 103116535) is 2-(4-hydroxy-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(4-hydroxy-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid is Cn1ccc(C(=O)N(CC(=O)O)c2ccc(O)cc2)n1.
What is the InChIKey of 2-(4-hydroxy-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid?
The InChIKey is UGTRVWVVELERHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-15-7-6-11(14-15)13(20)16(8-12(18)19)9-2-4-10(17)5-3-9/h2-7,17H,8H2,1H3,(H,18,19).
What are the key properties of 2-(4-hydroxy-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid?
2-(4-hydroxy-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid has a molecular weight of 275.26 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid is sourced from PubChem (CID 103116535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).