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

C13H23N3O3 — CID 79934824

IUPAC2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)-2-methylpropanoic acid
SMILESCC(C)(NC(=O)N1CCN2CCCCC2C1)C(=O)O
InChIInChI=1S/C13H23N3O3/c1-13(2,11(17)18)14-12(19)16-8-7-15-6-4-3-5-10(15)9-16/h10H,3-9H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyIYBNSYKNCLSZNI-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.73
Rot. Bonds2

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

2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)-2-methylpropanoic acid (PubChem CID 79934824) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)-2-methylpropanoic acid
PubChem CID79934824
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)-2-methylpropanoic acid
SMILESCC(C)(NC(=O)N1CCN2CCCCC2C1)C(=O)O
InChIInChI=1S/C13H23N3O3/c1-13(2,11(17)18)14-12(19)16-8-7-15-6-4-3-5-10(15)9-16/h10H,3-9H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyIYBNSYKNCLSZNI-UHFFFAOYSA-N
XLogP0.73
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 115585902
N-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide
CID 115695110
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonylamino)-2-methylpropanoic acid
CID 61265166
2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 79934656
tert-butyl 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
CID 63788851
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 78942270
(2R)-3,3-dimethyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 103928011
(2S)-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)-4-hydroxybutanoic acid
CID 107828364
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoacetaldehyde
CID 116999426
2-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61266922
2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]sulfanylacetic acid
CID 104569543
2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)cyclobutyl]acetic acid
CID 79916518

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)-2-methylpropanoic acid?
The IUPAC name of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)-2-methylpropanoic acid (CID 79934824) is 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)-2-methylpropanoic acid?
The canonical SMILES for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)-2-methylpropanoic acid is CC(C)(NC(=O)N1CCN2CCCCC2C1)C(=O)O.
What is the InChIKey of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)-2-methylpropanoic acid?
The InChIKey is IYBNSYKNCLSZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-13(2,11(17)18)14-12(19)16-8-7-15-6-4-3-5-10(15)9-16/h10H,3-9H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)-2-methylpropanoic acid?
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)-2-methylpropanoic acid has a molecular weight of 269.34 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)-2-methylpropanoic acid is sourced from PubChem (CID 79934824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).