2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid

C13H18N4O2 — CID 113446123

IUPAC2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
SMILESCC(C)c1cc2c(NC(C)(C)C(=O)O)nccn2n1
InChIInChI=1S/C13H18N4O2/c1-8(2)9-7-10-11(14-5-6-17(10)16-9)15-13(3,4)12(18)19/h5-8H,1-4H3,(H,14,15)(H,18,19)
InChIKeyRIGFHKDYTJLSES-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.13
Rot. Bonds4

About 2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid

2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid (PubChem CID 113446123) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
PubChem CID113446123
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
SMILESCC(C)c1cc2c(NC(C)(C)C(=O)O)nccn2n1
InChIInChI=1S/C13H18N4O2/c1-8(2)9-7-10-11(14-5-6-17(10)16-9)15-13(3,4)12(18)19/h5-8H,1-4H3,(H,14,15)(H,18,19)
InChIKeyRIGFHKDYTJLSES-UHFFFAOYSA-N
XLogP2.13
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid (CID 113446123) is 2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid is CC(C)c1cc2c(NC(C)(C)C(=O)O)nccn2n1.
What is the InChIKey of 2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid?
The InChIKey is RIGFHKDYTJLSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8(2)9-7-10-11(14-5-6-17(10)16-9)15-13(3,4)12(18)19/h5-8H,1-4H3,(H,14,15)(H,18,19).
What are the key properties of 2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid?
2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid is sourced from PubChem (CID 113446123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).