2-[(2,5-dimethylpyrazole-3-carbonyl)amino]oxyacetic acid

C8H11N3O4 — CID 66129033

IUPAC2-[(2,5-dimethylpyrazole-3-carbonyl)amino]oxyacetic acid
SMILESCc1cc(C(=O)NOCC(=O)O)n(C)n1
InChIInChI=1S/C8H11N3O4/c1-5-3-6(11(2)9-5)8(14)10-15-4-7(12)13/h3H,4H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyUHNHEGKMLPGFAA-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.53
Rot. Bonds4

About 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]oxyacetic acid

2-[(2,5-dimethylpyrazole-3-carbonyl)amino]oxyacetic acid (PubChem CID 66129033) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(2,5-dimethylpyrazole-3-carbonyl)amino]oxyacetic acid
PubChem CID66129033
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-[(2,5-dimethylpyrazole-3-carbonyl)amino]oxyacetic acid
SMILESCc1cc(C(=O)NOCC(=O)O)n(C)n1
InChIInChI=1S/C8H11N3O4/c1-5-3-6(11(2)9-5)8(14)10-15-4-7(12)13/h3H,4H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyUHNHEGKMLPGFAA-UHFFFAOYSA-N
XLogP-0.53
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethoxy)-2,5-dimethylpyrazole-3-carboxamide
CID 79676798
2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]oxyacetic acid
CID 66121113
2,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]pyrazole-3-carboxamide
CID 82723366
ethyl 3-(2,5-dimethylpyrazol-3-yl)-3-oxopropanoate
CID 6422536
2,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 68886245
2-[2-[(2,5-dimethylpyrazole-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242434
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 107846675
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]oxyacetic acid
CID 63929907
2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid
CID 2811788
(2S)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-ethoxy-5-oxopentanoic acid
CID 107039125
ethyl 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]butanoate
CID 61039145
(2R)-5-amino-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 107829989

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]oxyacetic acid?
The IUPAC name of 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]oxyacetic acid (CID 66129033) is 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]oxyacetic acid is Cc1cc(C(=O)NOCC(=O)O)n(C)n1.
What is the InChIKey of 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]oxyacetic acid?
The InChIKey is UHNHEGKMLPGFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-5-3-6(11(2)9-5)8(14)10-15-4-7(12)13/h3H,4H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]oxyacetic acid?
2-[(2,5-dimethylpyrazole-3-carbonyl)amino]oxyacetic acid has a molecular weight of 213.19 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]oxyacetic acid is sourced from PubChem (CID 66129033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).