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

C10H16N4O5 — CID 79095249

IUPAC3-hydroxy-2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]propanoic acid
SMILESO=C(O)C(CO)NC(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C10H16N4O5/c15-5-7(8(16)17)12-10(19)13-1-2-14-6(4-13)3-11-9(14)18/h6-7,15H,1-5H2,(H,11,18)(H,12,19)(H,16,17)
InChIKeyUQVALCNSZUKDFL-UHFFFAOYSA-N
MW272.26 g/mol
LogP-2.15
Rot. Bonds3

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

3-hydroxy-2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]propanoic acid (PubChem CID 79095249) has the molecular formula C10H16N4O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-hydroxy-2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]propanoic acid
PubChem CID79095249
Molecular FormulaC10H16N4O5
Molecular Weight272.26 g/mol
Exact Mass272.11
IUPAC Name3-hydroxy-2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]propanoic acid
SMILESO=C(O)C(CO)NC(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C10H16N4O5/c15-5-7(8(16)17)12-10(19)13-1-2-14-6(4-13)3-11-9(14)18/h6-7,15H,1-5H2,(H,11,18)(H,12,19)(H,16,17)
InChIKeyUQVALCNSZUKDFL-UHFFFAOYSA-N
XLogP-2.15
TPSA122.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-2.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]hexanoic acid
CID 79095247
(2S)-4-methylsulfanyl-2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]butanoic acid
CID 79096302
3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide
CID 79094683
4-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]butanoic acid
CID 79094067
N-cyclobutyl-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 113255355
7-(2-sulfanylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 107031951
3-hydroxy-2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 112626765
7-[1-(aminomethyl)cyclopropanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80598198
5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid
CID 79092252
4-amino-5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid
CID 79091984
2-[methyl-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]butanoic acid
CID 79094458
3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 61439141

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]propanoic acid (CID 79095249) is 3-hydroxy-2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]propanoic acid is O=C(O)C(CO)NC(=O)N1CCN2C(=O)NCC2C1.
What is the InChIKey of 3-hydroxy-2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]propanoic acid?
The InChIKey is UQVALCNSZUKDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5/c15-5-7(8(16)17)12-10(19)13-1-2-14-6(4-13)3-11-9(14)18/h6-7,15H,1-5H2,(H,11,18)(H,12,19)(H,16,17).
What are the key properties of 3-hydroxy-2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]propanoic acid?
3-hydroxy-2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]propanoic acid has a molecular weight of 272.26 g/mol, XLogP of -2.15, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]propanoic acid is sourced from PubChem (CID 79095249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).