2-[3-[(6,6-difluoro-1-bicyclo[3.1.0]hexanyl)methylamino]-2-oxopyrazin-1-yl]acetic acid

C13H15F2N3O3 — CID 167776568

IUPAC2-[3-[(6,6-difluoro-1-bicyclo[3.1.0]hexanyl)methylamino]-2-oxopyrazin-1-yl]acetic acid
SMILESO=C(O)Cn1ccnc(NCC23CCCC2C3(F)F)c1=O
InChIInChI=1S/C13H15F2N3O3/c14-13(15)8-2-1-3-12(8,13)7-17-10-11(21)18(5-4-16-10)6-9(19)20/h4-5,8H,1-3,6-7H2,(H,16,17)(H,19,20)
InChIKeyFXGSTPVNRDOECM-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.18
Rot. Bonds5

About 2-[3-[(6,6-difluoro-1-bicyclo[3.1.0]hexanyl)methylamino]-2-oxopyrazin-1-yl]acetic acid

2-[3-[(6,6-difluoro-1-bicyclo[3.1.0]hexanyl)methylamino]-2-oxopyrazin-1-yl]acetic acid (PubChem CID 167776568) has the molecular formula C13H15F2N3O3 and a molecular weight of 299.28 g/mol. Its IUPAC name is 2-[3-[(6,6-difluoro-1-bicyclo[3.1.0]hexanyl)methylamino]-2-oxopyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(6,6-difluoro-1-bicyclo[3.1.0]hexanyl)methylamino]-2-oxopyrazin-1-yl]acetic acid
PubChem CID167776568
Molecular FormulaC13H15F2N3O3
Molecular Weight299.28 g/mol
Exact Mass299.11
IUPAC Name2-[3-[(6,6-difluoro-1-bicyclo[3.1.0]hexanyl)methylamino]-2-oxopyrazin-1-yl]acetic acid
SMILESO=C(O)Cn1ccnc(NCC23CCCC2C3(F)F)c1=O
InChIInChI=1S/C13H15F2N3O3/c14-13(15)8-2-1-3-12(8,13)7-17-10-11(21)18(5-4-16-10)6-9(19)20/h4-5,8H,1-3,6-7H2,(H,16,17)(H,19,20)
InChIKeyFXGSTPVNRDOECM-UHFFFAOYSA-N
XLogP1.18
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-[(6,6-difluoro-1-bicyclo[3.1.0]hexanyl)methylamino]-2-oxopyrazin-1-yl]acetic acid with MolForge

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Related Compounds

2-[2-oxo-3-(2-spiro[3.3]heptan-2-ylethylamino)pyrazin-1-yl]acetic acid
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1-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
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3-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
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3-[(1-methylcyclopentyl)methylamino]-1-propylpyrazin-2-one
CID 63830300
1-cyclopropyl-3-[(1-hydroxycyclopentyl)methylamino]pyrazin-2-one
CID 65110313
2-[3-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid
CID 167848393
2-(2-cyclopropylimidazol-1-yl)acetic acid
CID 82560357
1-cyclopropyl-3-[(1-hydroxycyclohexyl)methylamino]pyrazin-2-one
CID 65110579
2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)ethylamino]pyrazin-1-yl]acetic acid
CID 167889001
2-[3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxopyrazin-1-yl]acetic acid
CID 167809627
4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6,6-difluoro-1-bicyclo[3.1.0]hexanyl)methylamino]-2-oxopyrazin-1-yl]acetic acid?
The IUPAC name of 2-[3-[(6,6-difluoro-1-bicyclo[3.1.0]hexanyl)methylamino]-2-oxopyrazin-1-yl]acetic acid (CID 167776568) is 2-[3-[(6,6-difluoro-1-bicyclo[3.1.0]hexanyl)methylamino]-2-oxopyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(6,6-difluoro-1-bicyclo[3.1.0]hexanyl)methylamino]-2-oxopyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(6,6-difluoro-1-bicyclo[3.1.0]hexanyl)methylamino]-2-oxopyrazin-1-yl]acetic acid is O=C(O)Cn1ccnc(NCC23CCCC2C3(F)F)c1=O.
What is the InChIKey of 2-[3-[(6,6-difluoro-1-bicyclo[3.1.0]hexanyl)methylamino]-2-oxopyrazin-1-yl]acetic acid?
The InChIKey is FXGSTPVNRDOECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O3/c14-13(15)8-2-1-3-12(8,13)7-17-10-11(21)18(5-4-16-10)6-9(19)20/h4-5,8H,1-3,6-7H2,(H,16,17)(H,19,20).
What are the key properties of 2-[3-[(6,6-difluoro-1-bicyclo[3.1.0]hexanyl)methylamino]-2-oxopyrazin-1-yl]acetic acid?
2-[3-[(6,6-difluoro-1-bicyclo[3.1.0]hexanyl)methylamino]-2-oxopyrazin-1-yl]acetic acid has a molecular weight of 299.28 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6,6-difluoro-1-bicyclo[3.1.0]hexanyl)methylamino]-2-oxopyrazin-1-yl]acetic acid is sourced from PubChem (CID 167776568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).