2-[2-oxo-3-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]pyrazin-1-yl]acetic acid

C18H19N3O3 — CID 167902208

IUPAC2-[2-oxo-3-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]pyrazin-1-yl]acetic acid
SMILESO=C(O)Cn1ccnc(N2C[C@@H]3CC[C@@H]3[C@@H]2c2ccccc2)c1=O
InChIInChI=1S/C18H19N3O3/c22-15(23)11-20-9-8-19-17(18(20)24)21-10-13-6-7-14(13)16(21)12-4-2-1-3-5-12/h1-5,8-9,13-14,16H,6-7,10-11H2,(H,22,23)/t13-,14-,16-/m0/s1
InChIKeyUPPMFUUEJPUOJT-DZKIICNBSA-N
MW325.37 g/mol
LogP1.92
Rot. Bonds4

About 2-[2-oxo-3-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]pyrazin-1-yl]acetic acid

2-[2-oxo-3-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]pyrazin-1-yl]acetic acid (PubChem CID 167902208) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[2-oxo-3-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]pyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-3-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]pyrazin-1-yl]acetic acid
PubChem CID167902208
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-[2-oxo-3-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]pyrazin-1-yl]acetic acid
SMILESO=C(O)Cn1ccnc(N2C[C@@H]3CC[C@@H]3[C@@H]2c2ccccc2)c1=O
InChIInChI=1S/C18H19N3O3/c22-15(23)11-20-9-8-19-17(18(20)24)21-10-13-6-7-14(13)16(21)12-4-2-1-3-5-12/h1-5,8-9,13-14,16H,6-7,10-11H2,(H,22,23)/t13-,14-,16-/m0/s1
InChIKeyUPPMFUUEJPUOJT-DZKIICNBSA-N
XLogP1.92
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]pyrazin-1-yl]acetic acid?
The IUPAC name of 2-[2-oxo-3-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]pyrazin-1-yl]acetic acid (CID 167902208) is 2-[2-oxo-3-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]pyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-3-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]pyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-3-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]pyrazin-1-yl]acetic acid is O=C(O)Cn1ccnc(N2C[C@@H]3CC[C@@H]3[C@@H]2c2ccccc2)c1=O.
What is the InChIKey of 2-[2-oxo-3-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]pyrazin-1-yl]acetic acid?
The InChIKey is UPPMFUUEJPUOJT-DZKIICNBSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-15(23)11-20-9-8-19-17(18(20)24)21-10-13-6-7-14(13)16(21)12-4-2-1-3-5-12/h1-5,8-9,13-14,16H,6-7,10-11H2,(H,22,23)/t13-,14-,16-/m0/s1.
What are the key properties of 2-[2-oxo-3-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]pyrazin-1-yl]acetic acid?
2-[2-oxo-3-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]pyrazin-1-yl]acetic acid has a molecular weight of 325.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-[(1S,2R,5R)-2-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]pyrazin-1-yl]acetic acid is sourced from PubChem (CID 167902208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).