2-methyl-2-[(2-propan-2-ylpyrazol-3-yl)amino]propanoic acid

C10H17N3O2 — CID 15703975

IUPAC2-methyl-2-[(2-propan-2-ylpyrazol-3-yl)amino]propanoic acid
SMILESCC(C)n1nccc1NC(C)(C)C(=O)O
InChIInChI=1S/C10H17N3O2/c1-7(2)13-8(5-6-11-13)12-10(3,4)9(14)15/h5-7,12H,1-4H3,(H,14,15)
InChIKeyUTOQGFAFWGKAGQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.74
Rot. Bonds4

About 2-methyl-2-[(2-propan-2-ylpyrazol-3-yl)amino]propanoic acid

2-methyl-2-[(2-propan-2-ylpyrazol-3-yl)amino]propanoic acid (PubChem CID 15703975) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-methyl-2-[(2-propan-2-ylpyrazol-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-propan-2-ylpyrazol-3-yl)amino]propanoic acid
PubChem CID15703975
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-methyl-2-[(2-propan-2-ylpyrazol-3-yl)amino]propanoic acid
SMILESCC(C)n1nccc1NC(C)(C)C(=O)O
InChIInChI=1S/C10H17N3O2/c1-7(2)13-8(5-6-11-13)12-10(3,4)9(14)15/h5-7,12H,1-4H3,(H,14,15)
InChIKeyUTOQGFAFWGKAGQ-UHFFFAOYSA-N
XLogP1.74
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-propan-2-ylpyrazol-3-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[(2-propan-2-ylpyrazol-3-yl)amino]propanoic acid (CID 15703975) is 2-methyl-2-[(2-propan-2-ylpyrazol-3-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-propan-2-ylpyrazol-3-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(2-propan-2-ylpyrazol-3-yl)amino]propanoic acid is CC(C)n1nccc1NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-propan-2-ylpyrazol-3-yl)amino]propanoic acid?
The InChIKey is UTOQGFAFWGKAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)13-8(5-6-11-13)12-10(3,4)9(14)15/h5-7,12H,1-4H3,(H,14,15).
What are the key properties of 2-methyl-2-[(2-propan-2-ylpyrazol-3-yl)amino]propanoic acid?
2-methyl-2-[(2-propan-2-ylpyrazol-3-yl)amino]propanoic acid has a molecular weight of 211.26 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-propan-2-ylpyrazol-3-yl)amino]propanoic acid is sourced from PubChem (CID 15703975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).