2-methyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoic acid

C10H12N4O2 — CID 104729413

IUPAC2-methyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoic acid
SMILESCC(C)(Nc1nccn2nccc12)C(=O)O
InChIInChI=1S/C10H12N4O2/c1-10(2,9(15)16)13-8-7-3-4-12-14(7)6-5-11-8/h3-6H,1-2H3,(H,11,13)(H,15,16)
InChIKeyCGIFDPLRCFQPGA-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.00
Rot. Bonds3

About 2-methyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoic acid

2-methyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoic acid (PubChem CID 104729413) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-methyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoic acid
PubChem CID104729413
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-methyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoic acid
SMILESCC(C)(Nc1nccn2nccc12)C(=O)O
InChIInChI=1S/C10H12N4O2/c1-10(2,9(15)16)13-8-7-3-4-12-14(7)6-5-11-8/h3-6H,1-2H3,(H,11,13)(H,15,16)
InChIKeyCGIFDPLRCFQPGA-UHFFFAOYSA-N
XLogP1.00
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoic acid (CID 104729413) is 2-methyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoic acid is CC(C)(Nc1nccn2nccc12)C(=O)O.
What is the InChIKey of 2-methyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoic acid?
The InChIKey is CGIFDPLRCFQPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-10(2,9(15)16)13-8-7-3-4-12-14(7)6-5-11-8/h3-6H,1-2H3,(H,11,13)(H,15,16).
What are the key properties of 2-methyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoic acid?
2-methyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoic acid has a molecular weight of 220.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoic acid is sourced from PubChem (CID 104729413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).