2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]propanoic acid

C13H23N3O3 — CID 79934908

IUPAC2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)N1CCN2CCCCC2C1
InChIInChI=1S/C13H23N3O3/c1-10(12(17)18)14(2)13(19)16-8-7-15-6-4-3-5-11(15)9-16/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyZBKOTGUYUOFSDE-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.68
Rot. Bonds2

About 2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]propanoic acid

2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]propanoic acid (PubChem CID 79934908) 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-carbonyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]propanoic acid
PubChem CID79934908
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-carbonyl(methyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)N1CCN2CCCCC2C1
InChIInChI=1S/C13H23N3O3/c1-10(12(17)18)14(2)13(19)16-8-7-15-6-4-3-5-11(15)9-16/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyZBKOTGUYUOFSDE-UHFFFAOYSA-N
XLogP0.68
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 79934656
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 78942270
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyl-3-oxopropanenitrile
CID 78996345
2-[(4-ethyl-3-methylpiperazine-1-carbonyl)-methylamino]propanoic acid
CID 63614715
2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-methylamino]propanoic acid
CID 112626729
4-amino-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylbutan-1-one
CID 80543021
2-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl(butan-2-yl)amino]acetic acid
CID 79943366
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoacetaldehyde
CID 116999426
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(azetidin-3-yl)propan-1-one
CID 116676460
(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
CID 68628166
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methyl-3-oxopropanoic acid
CID 114898402
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-3-methylbutanethioamide
CID 79935015

Frequently Asked Questions

What is the IUPAC name of 2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]propanoic acid?
The IUPAC name of 2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]propanoic acid (CID 79934908) is 2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]propanoic acid.
What is the SMILES notation for 2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]propanoic acid?
The canonical SMILES for 2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]propanoic acid is CC(C(=O)O)N(C)C(=O)N1CCN2CCCCC2C1.
What is the InChIKey of 2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]propanoic acid?
The InChIKey is ZBKOTGUYUOFSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-10(12(17)18)14(2)13(19)16-8-7-15-6-4-3-5-11(15)9-16/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]propanoic acid?
2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]propanoic acid has a molecular weight of 269.34 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 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-carbonyl(methyl)amino]propanoic acid is sourced from PubChem (CID 79934908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).