(2S,3S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid

C13H20N4O3 — CID 63026749

IUPAC(2S,3S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)N1CCn2ccnc2C1)C(=O)O
InChIInChI=1S/C13H20N4O3/c1-3-9(2)11(12(18)19)15-13(20)17-7-6-16-5-4-14-10(16)8-17/h4-5,9,11H,3,6-8H2,1-2H3,(H,15,20)(H,18,19)/t9-,11-/m0/s1
InChIKeyMQHZKWKZNGBXEM-ONGXEEELSA-N
MW280.33 g/mol
LogP0.91
Rot. Bonds4

About (2S,3S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid

(2S,3S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid (PubChem CID 63026749) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is (2S,3S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid
PubChem CID63026749
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name(2S,3S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)N1CCn2ccnc2C1)C(=O)O
InChIInChI=1S/C13H20N4O3/c1-3-9(2)11(12(18)19)15-13(20)17-7-6-16-5-4-14-10(16)8-17/h4-5,9,11H,3,6-8H2,1-2H3,(H,15,20)(H,18,19)/t9-,11-/m0/s1
InChIKeyMQHZKWKZNGBXEM-ONGXEEELSA-N
XLogP0.91
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid with MolForge

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Related Compounds

2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)propanoic acid
CID 55143467
(2S)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid
CID 64576614
(2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-hydroxypropanoic acid
CID 63026894
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-4-methylsulfanylbutanoic acid
CID 63026560
3-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(ethyl)amino]butanoic acid
CID 63026893
methyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 110712648
(2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid
CID 51420775
(2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;dihydrochloride
CID 119874214
N-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 115642001
3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid
CID 61405662
(2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid
CID 103500332
(2S)-2-(3,6-dihydro-2H-pyridine-1-carbonylamino)-3-methylpentanoic acid
CID 104921445

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid (CID 63026749) is (2S,3S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid is CC[C@H](C)[C@H](NC(=O)N1CCn2ccnc2C1)C(=O)O.
What is the InChIKey of (2S,3S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid?
The InChIKey is MQHZKWKZNGBXEM-ONGXEEELSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-9(2)11(12(18)19)15-13(20)17-7-6-16-5-4-14-10(16)8-17/h4-5,9,11H,3,6-8H2,1-2H3,(H,15,20)(H,18,19)/t9-,11-/m0/s1.
What are the key properties of (2S,3S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid?
(2S,3S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid has a molecular weight of 280.33 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid is sourced from PubChem (CID 63026749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).