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

C13H18N4O3 — CID 63026888

IUPAC3-[cyclopropyl(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)N1CCn2ccnc2C1)C1CC1
InChIInChI=1S/C13H18N4O3/c18-12(19)3-5-17(10-1-2-10)13(20)16-8-7-15-6-4-14-11(15)9-16/h4,6,10H,1-3,5,7-9H2,(H,18,19)
InChIKeyHYOYFKRYNYURNE-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.76
Rot. Bonds4

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

3-[cyclopropyl(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)amino]propanoic acid (PubChem CID 63026888) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[cyclopropyl(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)amino]propanoic acid
PubChem CID63026888
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name3-[cyclopropyl(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)N1CCn2ccnc2C1)C1CC1
InChIInChI=1S/C13H18N4O3/c18-12(19)3-5-17(10-1-2-10)13(20)16-8-7-15-6-4-14-11(15)9-16/h4,6,10H,1-3,5,7-9H2,(H,18,19)
InChIKeyHYOYFKRYNYURNE-UHFFFAOYSA-N
XLogP0.76
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)amino]propanoic acid (CID 63026888) is 3-[cyclopropyl(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)amino]propanoic acid is O=C(O)CCN(C(=O)N1CCn2ccnc2C1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)amino]propanoic acid?
The InChIKey is HYOYFKRYNYURNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c18-12(19)3-5-17(10-1-2-10)13(20)16-8-7-15-6-4-14-11(15)9-16/h4,6,10H,1-3,5,7-9H2,(H,18,19).
What are the key properties of 3-[cyclopropyl(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)amino]propanoic acid?
3-[cyclopropyl(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)amino]propanoic acid has a molecular weight of 278.31 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)amino]propanoic acid is sourced from PubChem (CID 63026888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).