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

C14H25N3O3 — CID 79934656

IUPAC2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(C(=O)N1CCN2CCCCC2C1)C(C)(C)C(=O)O
InChIInChI=1S/C14H25N3O3/c1-14(2,12(18)19)15(3)13(20)17-9-8-16-7-5-4-6-11(16)10-17/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyOFRQHIPOXRUHTH-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.07
Rot. Bonds2

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

2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 79934656) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]-2-methylpropanoic acid
PubChem CID79934656
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(C(=O)N1CCN2CCCCC2C1)C(C)(C)C(=O)O
InChIInChI=1S/C14H25N3O3/c1-14(2,12(18)19)15(3)13(20)17-9-8-16-7-5-4-6-11(16)10-17/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyOFRQHIPOXRUHTH-UHFFFAOYSA-N
XLogP1.07
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.07
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]propanoic acid
CID 79934908
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)-2-methylpropanoic acid
CID 79934824
2-methyl-2-[methyl-(3-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 62820953
N-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 115585902
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
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoacetaldehyde
CID 116999426
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(piperidin-1-yl)methanone
CID 113234472
2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]sulfanylacetic acid
CID 104569543
(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
CID 68628166
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyl-3-oxopropanenitrile
CID 78996345
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-sulfanylethanone
CID 79925171

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]-2-methylpropanoic acid?
The IUPAC name of 2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]-2-methylpropanoic acid (CID 79934656) is 2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]-2-methylpropanoic 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]-2-methylpropanoic acid?
The canonical SMILES for 2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]-2-methylpropanoic acid is CN(C(=O)N1CCN2CCCCC2C1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is OFRQHIPOXRUHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(2,12(18)19)15(3)13(20)17-9-8-16-7-5-4-6-11(16)10-17/h11H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]-2-methylpropanoic acid?
2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 283.37 g/mol, XLogP of 1.07, 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]-2-methylpropanoic acid is sourced from PubChem (CID 79934656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).