2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)cyclobutyl]acetic acid

C15H25N3O3 — CID 79916518

IUPAC2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)N2CCN3CCCCC3C2)CCC1
InChIInChI=1S/C15H25N3O3/c19-13(20)10-15(5-3-6-15)16-14(21)18-9-8-17-7-2-1-4-12(17)11-18/h12H,1-11H2,(H,16,21)(H,19,20)
InChIKeyJXPHJGHTSKFZDF-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.26
Rot. Bonds3

About 2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)cyclobutyl]acetic acid

2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)cyclobutyl]acetic acid (PubChem CID 79916518) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)cyclobutyl]acetic acid
PubChem CID79916518
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)N2CCN3CCCCC3C2)CCC1
InChIInChI=1S/C15H25N3O3/c19-13(20)10-15(5-3-6-15)16-14(21)18-9-8-17-7-2-1-4-12(17)11-18/h12H,1-11H2,(H,16,21)(H,19,20)
InChIKeyJXPHJGHTSKFZDF-UHFFFAOYSA-N
XLogP1.26
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)cyclobutyl]acetic acid with MolForge

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Related Compounds

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonylamino)cyclobutane-1-carboxylic acid
CID 81163132
2-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)cyclobutyl]acetic acid
CID 113335983
2-[1-(piperidine-1-carbonylamino)cyclopentyl]acetic acid
CID 64702189
2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79845570
2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 79842690
2-(1-aminocyclobutyl)-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
CID 79854172
1-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81162430
2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclobutyl]acetic acid
CID 114411634
2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 106588104
2-[1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentyl]acetic acid
CID 64701838
N-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 115585902
1-[(4-cyclopentylpiperazine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81155811

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)cyclobutyl]acetic acid (CID 79916518) is 2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)N2CCN3CCCCC3C2)CCC1.
What is the InChIKey of 2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)cyclobutyl]acetic acid?
The InChIKey is JXPHJGHTSKFZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c19-13(20)10-15(5-3-6-15)16-14(21)18-9-8-17-7-2-1-4-12(17)11-18/h12H,1-11H2,(H,16,21)(H,19,20).
What are the key properties of 2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)cyclobutyl]acetic acid?
2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)cyclobutyl]acetic acid has a molecular weight of 295.38 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 79916518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).