2-[methyl-[2-(4-methylpyrazol-1-yl)acetyl]amino]acetic acid

C9H13N3O3 — CID 90066955

IUPAC2-[methyl-[2-(4-methylpyrazol-1-yl)acetyl]amino]acetic acid
SMILESCc1cnn(CC(=O)N(C)CC(=O)O)c1
InChIInChI=1S/C9H13N3O3/c1-7-3-10-12(4-7)5-8(13)11(2)6-9(14)15/h3-4H,5-6H2,1-2H3,(H,14,15)
InChIKeyDYHGEYMZLMNPLV-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.27
Rot. Bonds4

About 2-[methyl-[2-(4-methylpyrazol-1-yl)acetyl]amino]acetic acid

2-[methyl-[2-(4-methylpyrazol-1-yl)acetyl]amino]acetic acid (PubChem CID 90066955) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[methyl-[2-(4-methylpyrazol-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(4-methylpyrazol-1-yl)acetyl]amino]acetic acid
PubChem CID90066955
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[methyl-[2-(4-methylpyrazol-1-yl)acetyl]amino]acetic acid
SMILESCc1cnn(CC(=O)N(C)CC(=O)O)c1
InChIInChI=1S/C9H13N3O3/c1-7-3-10-12(4-7)5-8(13)11(2)6-9(14)15/h3-4H,5-6H2,1-2H3,(H,14,15)
InChIKeyDYHGEYMZLMNPLV-UHFFFAOYSA-N
XLogP-0.27
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-methylpyrazol-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(4-methylpyrazol-1-yl)acetyl]amino]acetic acid (CID 90066955) is 2-[methyl-[2-(4-methylpyrazol-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(4-methylpyrazol-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(4-methylpyrazol-1-yl)acetyl]amino]acetic acid is Cc1cnn(CC(=O)N(C)CC(=O)O)c1.
What is the InChIKey of 2-[methyl-[2-(4-methylpyrazol-1-yl)acetyl]amino]acetic acid?
The InChIKey is DYHGEYMZLMNPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-7-3-10-12(4-7)5-8(13)11(2)6-9(14)15/h3-4H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[methyl-[2-(4-methylpyrazol-1-yl)acetyl]amino]acetic acid?
2-[methyl-[2-(4-methylpyrazol-1-yl)acetyl]amino]acetic acid has a molecular weight of 211.22 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-methylpyrazol-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 90066955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).