2-amino-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylbutanoic acid

C11H18N4O2 — CID 63026475

IUPAC2-amino-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylbutanoic acid
SMILESCC(N)(CCN1CCn2ccnc2C1)C(=O)O
InChIInChI=1S/C11H18N4O2/c1-11(12,10(16)17)2-4-14-6-7-15-5-3-13-9(15)8-14/h3,5H,2,4,6-8,12H2,1H3,(H,16,17)
InChIKeyFHWVFDWKAPSPIU-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.11
Rot. Bonds4

About 2-amino-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylbutanoic acid

2-amino-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylbutanoic acid (PubChem CID 63026475) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylbutanoic acid
PubChem CID63026475
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-amino-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylbutanoic acid
SMILESCC(N)(CCN1CCn2ccnc2C1)C(=O)O
InChIInChI=1S/C11H18N4O2/c1-11(12,10(16)17)2-4-14-6-7-15-5-3-13-9(15)8-14/h3,5H,2,4,6-8,12H2,1H3,(H,16,17)
InChIKeyFHWVFDWKAPSPIU-UHFFFAOYSA-N
XLogP-0.11
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylbutanoic acid?
The IUPAC name of 2-amino-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylbutanoic acid (CID 63026475) is 2-amino-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylbutanoic acid.
What is the SMILES notation for 2-amino-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylbutanoic acid?
The canonical SMILES for 2-amino-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylbutanoic acid is CC(N)(CCN1CCn2ccnc2C1)C(=O)O.
What is the InChIKey of 2-amino-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylbutanoic acid?
The InChIKey is FHWVFDWKAPSPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(12,10(16)17)2-4-14-6-7-15-5-3-13-9(15)8-14/h3,5H,2,4,6-8,12H2,1H3,(H,16,17).
What are the key properties of 2-amino-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylbutanoic acid?
2-amino-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylbutanoic acid has a molecular weight of 238.29 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylbutanoic acid is sourced from PubChem (CID 63026475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).