2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetic acid

C13H17N3O3 — CID 54902094

IUPAC2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)C1CCCCC1)c1cnccn1
InChIInChI=1S/C13H17N3O3/c17-12(10-8-14-6-7-15-10)16-11(13(18)19)9-4-2-1-3-5-9/h6-9,11H,1-5H2,(H,16,17)(H,18,19)
InChIKeyGEJCLNODLCIGDU-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.24
Rot. Bonds4

About 2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetic acid

2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetic acid (PubChem CID 54902094) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetic acid
PubChem CID54902094
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)C1CCCCC1)c1cnccn1
InChIInChI=1S/C13H17N3O3/c17-12(10-8-14-6-7-15-10)16-11(13(18)19)9-4-2-1-3-5-9/h6-9,11H,1-5H2,(H,16,17)(H,18,19)
InChIKeyGEJCLNODLCIGDU-UHFFFAOYSA-N
XLogP1.24
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetic acid (CID 54902094) is 2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetic acid is O=C(NC(C(=O)O)C1CCCCC1)c1cnccn1.
What is the InChIKey of 2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetic acid?
The InChIKey is GEJCLNODLCIGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-12(10-8-14-6-7-15-10)16-11(13(18)19)9-4-2-1-3-5-9/h6-9,11H,1-5H2,(H,16,17)(H,18,19).
What are the key properties of 2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetic acid?
2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetic acid has a molecular weight of 263.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetic acid is sourced from PubChem (CID 54902094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).