2-cyclohexyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid

C13H17N3O4 — CID 61015027

IUPAC2-cyclohexyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CCCCC1)c1c[nH]c(=O)cn1
InChIInChI=1S/C13H17N3O4/c17-10-7-14-9(6-15-10)12(18)16-11(13(19)20)8-4-2-1-3-5-8/h6-8,11H,1-5H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyIWVKIJQFLRPMHP-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.53
Rot. Bonds4

About 2-cyclohexyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid

2-cyclohexyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid (PubChem CID 61015027) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
PubChem CID61015027
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-cyclohexyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CCCCC1)c1c[nH]c(=O)cn1
InChIInChI=1S/C13H17N3O4/c17-10-7-14-9(6-15-10)12(18)16-11(13(19)20)8-4-2-1-3-5-8/h6-8,11H,1-5H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyIWVKIJQFLRPMHP-UHFFFAOYSA-N
XLogP0.53
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid (CID 61015027) is 2-cyclohexyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid is O=C(NC(C(=O)O)C1CCCCC1)c1c[nH]c(=O)cn1.
What is the InChIKey of 2-cyclohexyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The InChIKey is IWVKIJQFLRPMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-10-7-14-9(6-15-10)12(18)16-11(13(19)20)8-4-2-1-3-5-8/h6-8,11H,1-5H2,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-cyclohexyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
2-cyclohexyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid has a molecular weight of 279.30 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 61015027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).