3-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(ethyl)amino]butanoic acid

C13H20N4O3 — CID 63026893

IUPAC3-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(ethyl)amino]butanoic acid
SMILESCCN(C(=O)N1CCn2ccnc2C1)C(C)CC(=O)O
InChIInChI=1S/C13H20N4O3/c1-3-17(10(2)8-12(18)19)13(20)16-7-6-15-5-4-14-11(15)9-16/h4-5,10H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyABYAMEOGVZLBDT-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.00
Rot. Bonds4

About 3-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(ethyl)amino]butanoic acid

3-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(ethyl)amino]butanoic acid (PubChem CID 63026893) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(ethyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(ethyl)amino]butanoic acid
PubChem CID63026893
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name3-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(ethyl)amino]butanoic acid
SMILESCCN(C(=O)N1CCn2ccnc2C1)C(C)CC(=O)O
InChIInChI=1S/C13H20N4O3/c1-3-17(10(2)8-12(18)19)13(20)16-7-6-15-5-4-14-11(15)9-16/h4-5,10H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyABYAMEOGVZLBDT-UHFFFAOYSA-N
XLogP1.00
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(ethyl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 115627322
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)propanoic acid
CID 55143467
(2S,3S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid
CID 63026749
2-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 63026740
3-[cyclopropyl(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)amino]propanoic acid
CID 63026888
(2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;dihydrochloride
CID 119874214
(2R)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylpentan-1-one
CID 104903447
(2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pentan-1-one
CID 94939389
(2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-hydroxypropanoic acid
CID 63026894
(2S)-4-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-4-oxobutanoic acid
CID 63716634
methyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 110712648
2-bromo-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63680123

Frequently Asked Questions

What is the IUPAC name of 3-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(ethyl)amino]butanoic acid?
The IUPAC name of 3-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(ethyl)amino]butanoic acid (CID 63026893) is 3-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(ethyl)amino]butanoic acid.
What is the SMILES notation for 3-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(ethyl)amino]butanoic acid?
The canonical SMILES for 3-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(ethyl)amino]butanoic acid is CCN(C(=O)N1CCn2ccnc2C1)C(C)CC(=O)O.
What is the InChIKey of 3-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(ethyl)amino]butanoic acid?
The InChIKey is ABYAMEOGVZLBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-17(10(2)8-12(18)19)13(20)16-7-6-15-5-4-14-11(15)9-16/h4-5,10H,3,6-9H2,1-2H3,(H,18,19).
What are the key properties of 3-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(ethyl)amino]butanoic acid?
3-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(ethyl)amino]butanoic acid has a molecular weight of 280.33 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(ethyl)amino]butanoic acid is sourced from PubChem (CID 63026893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).