2-[3-(3-bicyclo[3.2.1]octanylamino)-2-oxopyrazin-1-yl]acetic acid

C14H19N3O3 — CID 167840076

IUPAC2-[3-(3-bicyclo[3.2.1]octanylamino)-2-oxopyrazin-1-yl]acetic acid
SMILESO=C(O)Cn1ccnc(NC2CC3CCC(C3)C2)c1=O
InChIInChI=1S/C14H19N3O3/c18-12(19)8-17-4-3-15-13(14(17)20)16-11-6-9-1-2-10(5-9)7-11/h3-4,9-11H,1-2,5-8H2,(H,15,16)(H,18,19)
InChIKeySUIGHDAEORTGOB-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.32
Rot. Bonds4

About 2-[3-(3-bicyclo[3.2.1]octanylamino)-2-oxopyrazin-1-yl]acetic acid

2-[3-(3-bicyclo[3.2.1]octanylamino)-2-oxopyrazin-1-yl]acetic acid (PubChem CID 167840076) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[3-(3-bicyclo[3.2.1]octanylamino)-2-oxopyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3-bicyclo[3.2.1]octanylamino)-2-oxopyrazin-1-yl]acetic acid
PubChem CID167840076
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[3-(3-bicyclo[3.2.1]octanylamino)-2-oxopyrazin-1-yl]acetic acid
SMILESO=C(O)Cn1ccnc(NC2CC3CCC(C3)C2)c1=O
InChIInChI=1S/C14H19N3O3/c18-12(19)8-17-4-3-15-13(14(17)20)16-11-6-9-1-2-10(5-9)7-11/h3-4,9-11H,1-2,5-8H2,(H,15,16)(H,18,19)
InChIKeySUIGHDAEORTGOB-UHFFFAOYSA-N
XLogP1.32
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)amino]-2-oxopyrazin-1-yl]acetic acid
CID 167940471
3-[3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclobutyl]propanoic acid
CID 167780781
2-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-2-oxopyrazin-1-yl]acetic acid
CID 167863491
2-[3-[(6,6-difluoro-1-bicyclo[3.1.0]hexanyl)methylamino]-2-oxopyrazin-1-yl]acetic acid
CID 167776568
2-[2-oxo-3-(2-spiro[3.3]heptan-2-ylethylamino)pyrazin-1-yl]acetic acid
CID 166356949
2-[3-[(2R,6S)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-2-oxopyrazin-1-yl]acetic acid
CID 167760027
2-(2-cyclopropylimidazol-1-yl)acetic acid
CID 82560357
ethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate
CID 62938971
1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one
CID 113349521
3-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 63042240
2-[2-oxo-3-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]pyrazin-1-yl]-N-phenylacetamide
CID 24895862
2-[3-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid
CID 167848393

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bicyclo[3.2.1]octanylamino)-2-oxopyrazin-1-yl]acetic acid?
The IUPAC name of 2-[3-(3-bicyclo[3.2.1]octanylamino)-2-oxopyrazin-1-yl]acetic acid (CID 167840076) is 2-[3-(3-bicyclo[3.2.1]octanylamino)-2-oxopyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(3-bicyclo[3.2.1]octanylamino)-2-oxopyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(3-bicyclo[3.2.1]octanylamino)-2-oxopyrazin-1-yl]acetic acid is O=C(O)Cn1ccnc(NC2CC3CCC(C3)C2)c1=O.
What is the InChIKey of 2-[3-(3-bicyclo[3.2.1]octanylamino)-2-oxopyrazin-1-yl]acetic acid?
The InChIKey is SUIGHDAEORTGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-12(19)8-17-4-3-15-13(14(17)20)16-11-6-9-1-2-10(5-9)7-11/h3-4,9-11H,1-2,5-8H2,(H,15,16)(H,18,19).
What are the key properties of 2-[3-(3-bicyclo[3.2.1]octanylamino)-2-oxopyrazin-1-yl]acetic acid?
2-[3-(3-bicyclo[3.2.1]octanylamino)-2-oxopyrazin-1-yl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bicyclo[3.2.1]octanylamino)-2-oxopyrazin-1-yl]acetic acid is sourced from PubChem (CID 167840076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).