2-cyclohexyl-2-(pyrazin-2-ylamino)acetic acid

C12H17N3O2 — CID 54902055

IUPAC2-cyclohexyl-2-(pyrazin-2-ylamino)acetic acid
SMILESO=C(O)C(Nc1cnccn1)C1CCCCC1
InChIInChI=1S/C12H17N3O2/c16-12(17)11(9-4-2-1-3-5-9)15-10-8-13-6-7-14-10/h6-9,11H,1-5H2,(H,14,15)(H,16,17)
InChIKeyWUNHARTULFSARM-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.92
Rot. Bonds4

About 2-cyclohexyl-2-(pyrazin-2-ylamino)acetic acid

2-cyclohexyl-2-(pyrazin-2-ylamino)acetic acid (PubChem CID 54902055) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-cyclohexyl-2-(pyrazin-2-ylamino)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(pyrazin-2-ylamino)acetic acid
PubChem CID54902055
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-cyclohexyl-2-(pyrazin-2-ylamino)acetic acid
SMILESO=C(O)C(Nc1cnccn1)C1CCCCC1
InChIInChI=1S/C12H17N3O2/c16-12(17)11(9-4-2-1-3-5-9)15-10-8-13-6-7-14-10/h6-9,11H,1-5H2,(H,14,15)(H,16,17)
InChIKeyWUNHARTULFSARM-UHFFFAOYSA-N
XLogP1.92
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(pyrazin-2-ylamino)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(pyrazin-2-ylamino)acetic acid (CID 54902055) is 2-cyclohexyl-2-(pyrazin-2-ylamino)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(pyrazin-2-ylamino)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(pyrazin-2-ylamino)acetic acid is O=C(O)C(Nc1cnccn1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(pyrazin-2-ylamino)acetic acid?
The InChIKey is WUNHARTULFSARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12(17)11(9-4-2-1-3-5-9)15-10-8-13-6-7-14-10/h6-9,11H,1-5H2,(H,14,15)(H,16,17).
What are the key properties of 2-cyclohexyl-2-(pyrazin-2-ylamino)acetic acid?
2-cyclohexyl-2-(pyrazin-2-ylamino)acetic acid has a molecular weight of 235.29 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(pyrazin-2-ylamino)acetic acid is sourced from PubChem (CID 54902055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).