3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-propan-2-ylamino]propanoic acid

C13H18N4O2 — CID 113446120

IUPAC3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-propan-2-ylamino]propanoic acid
SMILESCc1cc2c(N(CCC(=O)O)C(C)C)nccn2n1
InChIInChI=1S/C13H18N4O2/c1-9(2)16(6-4-12(18)19)13-11-8-10(3)15-17(11)7-5-14-13/h5,7-9H,4,6H2,1-3H3,(H,18,19)
InChIKeyILRSZQDLWSZPTL-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.73
Rot. Bonds5

About 3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-propan-2-ylamino]propanoic acid

3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-propan-2-ylamino]propanoic acid (PubChem CID 113446120) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-propan-2-ylamino]propanoic acid
PubChem CID113446120
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-propan-2-ylamino]propanoic acid
SMILESCc1cc2c(N(CCC(=O)O)C(C)C)nccn2n1
InChIInChI=1S/C13H18N4O2/c1-9(2)16(6-4-12(18)19)13-11-8-10(3)15-17(11)7-5-14-13/h5,7-9H,4,6H2,1-3H3,(H,18,19)
InChIKeyILRSZQDLWSZPTL-UHFFFAOYSA-N
XLogP1.73
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-propan-2-ylamino]propanoic acid (CID 113446120) is 3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-propan-2-ylamino]propanoic acid is Cc1cc2c(N(CCC(=O)O)C(C)C)nccn2n1.
What is the InChIKey of 3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-propan-2-ylamino]propanoic acid?
The InChIKey is ILRSZQDLWSZPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9(2)16(6-4-12(18)19)13-11-8-10(3)15-17(11)7-5-14-13/h5,7-9H,4,6H2,1-3H3,(H,18,19).
What are the key properties of 3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-propan-2-ylamino]propanoic acid?
3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-propan-2-ylamino]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 113446120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).