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2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid

C8H13N3O2 — CID 154882060

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid
SMILESCC(C)n1cc(NCC(=O)O)cn1
InChIInChI=1S/C8H13N3O2/c1-6(2)11-5-7(3-10-11)9-4-8(12)13/h3,5-6,9H,4H2,1-2H3,(H,12,13)
InChIKeyOZPXXTJJXNJLLY-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.96
Rot. Bonds4

About 2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid

2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid (PubChem CID 154882060) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid
PubChem CID154882060
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid
SMILESCC(C)n1cc(NCC(=O)O)cn1
InChIInChI=1S/C8H13N3O2/c1-6(2)11-5-7(3-10-11)9-4-8(12)13/h3,5-6,9H,4H2,1-2H3,(H,12,13)
InChIKeyOZPXXTJJXNJLLY-UHFFFAOYSA-N
XLogP0.96
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid?
The IUPAC name of 2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid (CID 154882060) is 2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid is CC(C)n1cc(NCC(=O)O)cn1.
What is the InChIKey of 2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid?
The InChIKey is OZPXXTJJXNJLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(2)11-5-7(3-10-11)9-4-8(12)13/h3,5-6,9H,4H2,1-2H3,(H,12,13).
What are the key properties of 2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid?
2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid has a molecular weight of 183.21 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid is sourced from PubChem (CID 154882060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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