2-cyclohexyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]acetic acid

C15H23N3O3 — CID 62940298

IUPAC2-cyclohexyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]acetic acid
SMILESCC(C)n1ccnc(NC(C(=O)O)C2CCCCC2)c1=O
InChIInChI=1S/C15H23N3O3/c1-10(2)18-9-8-16-13(14(18)19)17-12(15(20)21)11-6-4-3-5-7-11/h8-12H,3-7H2,1-2H3,(H,16,17)(H,20,21)
InChIKeyWUUNWEXHOVTTIZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.27
Rot. Bonds5

About 2-cyclohexyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]acetic acid

2-cyclohexyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]acetic acid (PubChem CID 62940298) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]acetic acid
PubChem CID62940298
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-cyclohexyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]acetic acid
SMILESCC(C)n1ccnc(NC(C(=O)O)C2CCCCC2)c1=O
InChIInChI=1S/C15H23N3O3/c1-10(2)18-9-8-16-13(14(18)19)17-12(15(20)21)11-6-4-3-5-7-11/h8-12H,3-7H2,1-2H3,(H,16,17)(H,20,21)
InChIKeyWUUNWEXHOVTTIZ-UHFFFAOYSA-N
XLogP2.27
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]acetic acid (CID 62940298) is 2-cyclohexyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]acetic acid is CC(C)n1ccnc(NC(C(=O)O)C2CCCCC2)c1=O.
What is the InChIKey of 2-cyclohexyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]acetic acid?
The InChIKey is WUUNWEXHOVTTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)18-9-8-16-13(14(18)19)17-12(15(20)21)11-6-4-3-5-7-11/h8-12H,3-7H2,1-2H3,(H,16,17)(H,20,21).
What are the key properties of 2-cyclohexyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]acetic acid?
2-cyclohexyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]acetic acid is sourced from PubChem (CID 62940298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).