2-amino-2-[1-hydroxy-5-(2-methoxyphenyl)pyrazol-4-yl]acetic acid

C12H13N3O4 — CID 12968998

IUPAC2-amino-2-[1-hydroxy-5-(2-methoxyphenyl)pyrazol-4-yl]acetic acid
SMILESCOc1ccccc1-c1c(C(N)C(=O)O)cnn1O
InChIInChI=1S/C12H13N3O4/c1-19-9-5-3-2-4-7(9)11-8(6-14-15(11)18)10(13)12(16)17/h2-6,10,18H,13H2,1H3,(H,16,17)
InChIKeyHCUNRPHBEXFDJU-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.88
Rot. Bonds4

About 2-amino-2-[1-hydroxy-5-(2-methoxyphenyl)pyrazol-4-yl]acetic acid

2-amino-2-[1-hydroxy-5-(2-methoxyphenyl)pyrazol-4-yl]acetic acid (PubChem CID 12968998) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-amino-2-[1-hydroxy-5-(2-methoxyphenyl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[1-hydroxy-5-(2-methoxyphenyl)pyrazol-4-yl]acetic acid
PubChem CID12968998
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-amino-2-[1-hydroxy-5-(2-methoxyphenyl)pyrazol-4-yl]acetic acid
SMILESCOc1ccccc1-c1c(C(N)C(=O)O)cnn1O
InChIInChI=1S/C12H13N3O4/c1-19-9-5-3-2-4-7(9)11-8(6-14-15(11)18)10(13)12(16)17/h2-6,10,18H,13H2,1H3,(H,16,17)
InChIKeyHCUNRPHBEXFDJU-UHFFFAOYSA-N
XLogP0.88
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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2,3-dihydroxybutanedioic acid;2-methoxyaniline
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propan-2-yl 4-iodo-5-(2-methoxyphenyl)pyrazole-1-carboxylate
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2-amino-2-(3-methoxy-2-pyridinyl)acetic acid
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CID 104940695
5-(2-methoxyphenyl)-1-propan-2-yltriazole-4-carboxylic acid
CID 82206744
2-amino-2-(5-bromo-1-methylpyrazol-4-yl)acetic acid
CID 84796689
2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 28799604
2-amino-2-(2-hydroxypyrazol-3-yl)acetic acid
CID 11412520
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
2-amino-2-(1-ethyl-4-methoxyindol-3-yl)acetic acid
CID 115073382

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[1-hydroxy-5-(2-methoxyphenyl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[1-hydroxy-5-(2-methoxyphenyl)pyrazol-4-yl]acetic acid (CID 12968998) is 2-amino-2-[1-hydroxy-5-(2-methoxyphenyl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[1-hydroxy-5-(2-methoxyphenyl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[1-hydroxy-5-(2-methoxyphenyl)pyrazol-4-yl]acetic acid is COc1ccccc1-c1c(C(N)C(=O)O)cnn1O.
What is the InChIKey of 2-amino-2-[1-hydroxy-5-(2-methoxyphenyl)pyrazol-4-yl]acetic acid?
The InChIKey is HCUNRPHBEXFDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-19-9-5-3-2-4-7(9)11-8(6-14-15(11)18)10(13)12(16)17/h2-6,10,18H,13H2,1H3,(H,16,17).
What are the key properties of 2-amino-2-[1-hydroxy-5-(2-methoxyphenyl)pyrazol-4-yl]acetic acid?
2-amino-2-[1-hydroxy-5-(2-methoxyphenyl)pyrazol-4-yl]acetic acid has a molecular weight of 263.25 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[1-hydroxy-5-(2-methoxyphenyl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 12968998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).