2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]cyclopentane-1-carboxylic acid

C13H20N4O4 — CID 79096477

IUPAC2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1NC(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C13H20N4O4/c18-11(19)9-2-1-3-10(9)15-13(21)16-4-5-17-8(7-16)6-14-12(17)20/h8-10H,1-7H2,(H,14,20)(H,15,21)(H,18,19)
InChIKeyARWRTPNXEBWJGG-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.34
Rot. Bonds2

About 2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]cyclopentane-1-carboxylic acid

2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 79096477) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID79096477
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1NC(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C13H20N4O4/c18-11(19)9-2-1-3-10(9)15-13(21)16-4-5-17-8(7-16)6-14-12(17)20/h8-10H,1-7H2,(H,14,20)(H,15,21)(H,18,19)
InChIKeyARWRTPNXEBWJGG-UHFFFAOYSA-N
XLogP-0.34
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 79096477) is 2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1NC(=O)N1CCN2C(=O)NCC2C1.
What is the InChIKey of 2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is ARWRTPNXEBWJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c18-11(19)9-2-1-3-10(9)15-13(21)16-4-5-17-8(7-16)6-14-12(17)20/h8-10H,1-7H2,(H,14,20)(H,15,21)(H,18,19).
What are the key properties of 2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]cyclopentane-1-carboxylic acid?
2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of -0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79096477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).