4-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]butanoic acid

C11H18N4O4 — CID 79094067

IUPAC4-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C11H18N4O4/c16-9(17)2-1-3-12-10(18)14-4-5-15-8(7-14)6-13-11(15)19/h8H,1-7H2,(H,12,18)(H,13,19)(H,16,17)
InChIKeyKNXAOMHSBCTZQY-UHFFFAOYSA-N
MW270.29 g/mol
LogP-0.73
Rot. Bonds4

About 4-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]butanoic acid

4-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]butanoic acid (PubChem CID 79094067) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]butanoic acid
PubChem CID79094067
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name4-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C11H18N4O4/c16-9(17)2-1-3-12-10(18)14-4-5-15-8(7-14)6-13-11(15)19/h8H,1-7H2,(H,12,18)(H,13,19)(H,16,17)
InChIKeyKNXAOMHSBCTZQY-UHFFFAOYSA-N
XLogP-0.73
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]butanoic acid with MolForge

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Related Compounds

5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid
CID 79092252
3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide
CID 79094683
N-cyclopropyl-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 115682833
3-hydroxy-2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]propanoic acid
CID 79095249
7-(4-aminobutanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091744
2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]hexanoic acid
CID 79095247
N-cyclobutyl-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 113255355
3-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)sulfonyl]propanoic acid
CID 79092333
4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 61183034
2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 79096477
7-[1-(aminomethyl)cyclopropanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80598198
(2S)-4-methylsulfanyl-2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]butanoic acid
CID 79096302

Frequently Asked Questions

What is the IUPAC name of 4-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]butanoic acid (CID 79094067) is 4-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]butanoic acid is O=C(O)CCCNC(=O)N1CCN2C(=O)NCC2C1.
What is the InChIKey of 4-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]butanoic acid?
The InChIKey is KNXAOMHSBCTZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c16-9(17)2-1-3-12-10(18)14-4-5-15-8(7-14)6-13-11(15)19/h8H,1-7H2,(H,12,18)(H,13,19)(H,16,17).
What are the key properties of 4-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]butanoic acid?
4-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]butanoic acid has a molecular weight of 270.29 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]butanoic acid is sourced from PubChem (CID 79094067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).