2-acetamido-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic acid

C11H16N4O3 — CID 64582931

IUPAC2-acetamido-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic acid
SMILESCC(=O)NC(CN1CCn2ccnc2C1)C(=O)O
InChIInChI=1S/C11H16N4O3/c1-8(16)13-9(11(17)18)6-14-4-5-15-3-2-12-10(15)7-14/h2-3,9H,4-7H2,1H3,(H,13,16)(H,17,18)
InChIKeyQYKVPUXVPXREGJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.71
Rot. Bonds4

About 2-acetamido-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic acid

2-acetamido-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic acid (PubChem CID 64582931) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-acetamido-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic acid
PubChem CID64582931
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-acetamido-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic acid
SMILESCC(=O)NC(CN1CCn2ccnc2C1)C(=O)O
InChIInChI=1S/C11H16N4O3/c1-8(16)13-9(11(17)18)6-14-4-5-15-3-2-12-10(15)7-14/h2-3,9H,4-7H2,1H3,(H,13,16)(H,17,18)
InChIKeyQYKVPUXVPXREGJ-UHFFFAOYSA-N
XLogP-0.71
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic acid (CID 64582931) is 2-acetamido-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic acid is CC(=O)NC(CN1CCn2ccnc2C1)C(=O)O.
What is the InChIKey of 2-acetamido-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic acid?
The InChIKey is QYKVPUXVPXREGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-8(16)13-9(11(17)18)6-14-4-5-15-3-2-12-10(15)7-14/h2-3,9H,4-7H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 2-acetamido-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic acid?
2-acetamido-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic acid has a molecular weight of 252.27 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic acid is sourced from PubChem (CID 64582931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).