2,2-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid

C10H15N3O3 — CID 81367964

IUPAC2,2-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid
SMILESCC(C)(CNC(=O)Cn1cccn1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-10(2,9(15)16)7-11-8(14)6-13-5-3-4-12-13/h3-5H,6-7H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyYRSIIYWTYSOUQD-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.11
Rot. Bonds5

About 2,2-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid

2,2-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid (PubChem CID 81367964) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid
PubChem CID81367964
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2,2-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid
SMILESCC(C)(CNC(=O)Cn1cccn1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-10(2,9(15)16)7-11-8(14)6-13-5-3-4-12-13/h3-5H,6-7H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyYRSIIYWTYSOUQD-UHFFFAOYSA-N
XLogP0.11
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid (CID 81367964) is 2,2-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid is CC(C)(CNC(=O)Cn1cccn1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid?
The InChIKey is YRSIIYWTYSOUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(2,9(15)16)7-11-8(14)6-13-5-3-4-12-13/h3-5H,6-7H2,1-2H3,(H,11,14)(H,15,16).
What are the key properties of 2,2-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid?
2,2-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 81367964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).