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

C11H16N4O3 — CID 67356179

IUPAC(2S)-2-amino-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)N1CCn2ccnc2C1)C(=O)O
InChIInChI=1S/C11H16N4O3/c12-8(11(17)18)1-2-10(16)15-6-5-14-4-3-13-9(14)7-15/h3-4,8H,1-2,5-7,12H2,(H,17,18)/t8-/m0/s1
InChIKeyMUYWAEFFOOKEKI-QMMMGPOBSA-N
MW252.27 g/mol
LogP-0.58
Rot. Bonds4

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

(2S)-2-amino-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxopentanoic acid (PubChem CID 67356179) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2S)-2-amino-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxopentanoic acid
PubChem CID67356179
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name(2S)-2-amino-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)N1CCn2ccnc2C1)C(=O)O
InChIInChI=1S/C11H16N4O3/c12-8(11(17)18)1-2-10(16)15-6-5-14-4-3-13-9(14)7-15/h3-4,8H,1-2,5-7,12H2,(H,17,18)/t8-/m0/s1
InChIKeyMUYWAEFFOOKEKI-QMMMGPOBSA-N
XLogP-0.58
TPSA101.45 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 ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxopentanoic acid (CID 67356179) is (2S)-2-amino-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxopentanoic acid is N[C@@H](CCC(=O)N1CCn2ccnc2C1)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxopentanoic acid?
The InChIKey is MUYWAEFFOOKEKI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-8(11(17)18)1-2-10(16)15-6-5-14-4-3-13-9(14)7-15/h3-4,8H,1-2,5-7,12H2,(H,17,18)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxopentanoic acid?
(2S)-2-amino-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxopentanoic acid has a molecular weight of 252.27 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxopentanoic acid is sourced from PubChem (CID 67356179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).