2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid

C9H13N3O4 — CID 2811788

IUPAC2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid
SMILESCc1cc(NC(=O)COCC(=O)O)n(C)n1
InChIInChI=1S/C9H13N3O4/c1-6-3-7(12(2)11-6)10-8(13)4-16-5-9(14)15/h3H,4-5H2,1-2H3,(H,10,13)(H,14,15)
InChIKeyQKUWZXSRUQQKQW-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.23
Rot. Bonds5

About 2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid

2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid (PubChem CID 2811788) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid
PubChem CID2811788
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid
SMILESCc1cc(NC(=O)COCC(=O)O)n(C)n1
InChIInChI=1S/C9H13N3O4/c1-6-3-7(12(2)11-6)10-8(13)4-16-5-9(14)15/h3H,4-5H2,1-2H3,(H,10,13)(H,14,15)
InChIKeyQKUWZXSRUQQKQW-UHFFFAOYSA-N
XLogP-0.23
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
N-(2,5-dimethylpyrazol-3-yl)-2-(4-phenylimidazol-1-yl)acetamide
CID 46992082
2-(3-aminophenoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 61090242
2-[2-[(2-methyl-4-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 79235104
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2,5-dichlorothiophene-3-carboxylate
CID 41460115
N-(2,5-dimethylpyrazol-3-yl)-2-(2-methylphenyl)acetamide
CID 51307661
4-amino-N-(2,5-dimethylpyrazol-3-yl)pentanamide;hydrochloride
CID 120558953
2-[(2,5-dimethylpyrazole-3-carbonyl)amino]oxyacetic acid
CID 66129033
2-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 1431338
ethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 36800258
N-(2,5-dimethylpyrazol-3-yl)-3-oxotetradecanamide
CID 91313387
2-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36800103

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid (CID 2811788) is 2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid is Cc1cc(NC(=O)COCC(=O)O)n(C)n1.
What is the InChIKey of 2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is QKUWZXSRUQQKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-6-3-7(12(2)11-6)10-8(13)4-16-5-9(14)15/h3H,4-5H2,1-2H3,(H,10,13)(H,14,15).
What are the key properties of 2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid?
2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 227.22 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 2811788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).