2-[2-oxo-3-(2-spiro[3.3]heptan-2-ylethylamino)pyrazin-1-yl]acetic acid

C15H21N3O3 — CID 166356949

IUPAC2-[2-oxo-3-(2-spiro[3.3]heptan-2-ylethylamino)pyrazin-1-yl]acetic acid
SMILESO=C(O)Cn1ccnc(NCCC2CC3(CCC3)C2)c1=O
InChIInChI=1S/C15H21N3O3/c19-12(20)10-18-7-6-17-13(14(18)21)16-5-2-11-8-15(9-11)3-1-4-15/h6-7,11H,1-5,8-10H2,(H,16,17)(H,19,20)
InChIKeyNMBJZLRDXFCZRZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.71
Rot. Bonds6

About 2-[2-oxo-3-(2-spiro[3.3]heptan-2-ylethylamino)pyrazin-1-yl]acetic acid

2-[2-oxo-3-(2-spiro[3.3]heptan-2-ylethylamino)pyrazin-1-yl]acetic acid (PubChem CID 166356949) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[2-oxo-3-(2-spiro[3.3]heptan-2-ylethylamino)pyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-3-(2-spiro[3.3]heptan-2-ylethylamino)pyrazin-1-yl]acetic acid
PubChem CID166356949
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[2-oxo-3-(2-spiro[3.3]heptan-2-ylethylamino)pyrazin-1-yl]acetic acid
SMILESO=C(O)Cn1ccnc(NCCC2CC3(CCC3)C2)c1=O
InChIInChI=1S/C15H21N3O3/c19-12(20)10-18-7-6-17-13(14(18)21)16-5-2-11-8-15(9-11)3-1-4-15/h6-7,11H,1-5,8-10H2,(H,16,17)(H,19,20)
InChIKeyNMBJZLRDXFCZRZ-UHFFFAOYSA-N
XLogP1.71
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(2-spiro[3.3]heptan-2-ylethylamino)pyrazin-1-yl]acetic acid?
The IUPAC name of 2-[2-oxo-3-(2-spiro[3.3]heptan-2-ylethylamino)pyrazin-1-yl]acetic acid (CID 166356949) is 2-[2-oxo-3-(2-spiro[3.3]heptan-2-ylethylamino)pyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-3-(2-spiro[3.3]heptan-2-ylethylamino)pyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-3-(2-spiro[3.3]heptan-2-ylethylamino)pyrazin-1-yl]acetic acid is O=C(O)Cn1ccnc(NCCC2CC3(CCC3)C2)c1=O.
What is the InChIKey of 2-[2-oxo-3-(2-spiro[3.3]heptan-2-ylethylamino)pyrazin-1-yl]acetic acid?
The InChIKey is NMBJZLRDXFCZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-12(20)10-18-7-6-17-13(14(18)21)16-5-2-11-8-15(9-11)3-1-4-15/h6-7,11H,1-5,8-10H2,(H,16,17)(H,19,20).
What are the key properties of 2-[2-oxo-3-(2-spiro[3.3]heptan-2-ylethylamino)pyrazin-1-yl]acetic acid?
2-[2-oxo-3-(2-spiro[3.3]heptan-2-ylethylamino)pyrazin-1-yl]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(2-spiro[3.3]heptan-2-ylethylamino)pyrazin-1-yl]acetic acid is sourced from PubChem (CID 166356949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).