2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid

C8H11N3O4 — CID 2812988

IUPAC2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid
SMILESCn1nccc1NC(=O)COCC(=O)O
InChIInChI=1S/C8H11N3O4/c1-11-6(2-3-9-11)10-7(12)4-15-5-8(13)14/h2-3H,4-5H2,1H3,(H,10,12)(H,13,14)
InChIKeyXJCLLXMMHBZFAQ-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.54
Rot. Bonds5

About 2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid

2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid (PubChem CID 2812988) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid
PubChem CID2812988
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid
SMILESCn1nccc1NC(=O)COCC(=O)O
InChIInChI=1S/C8H11N3O4/c1-11-6(2-3-9-11)10-7(12)4-15-5-8(13)14/h2-3H,4-5H2,1H3,(H,10,12)(H,13,14)
InChIKeyXJCLLXMMHBZFAQ-UHFFFAOYSA-N
XLogP-0.54
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid (CID 2812988) is 2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid is Cn1nccc1NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is XJCLLXMMHBZFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-11-6(2-3-9-11)10-7(12)4-15-5-8(13)14/h2-3H,4-5H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid?
2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 213.19 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 2812988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).