2-cyclohexyl-2-[(4-methyl-3-oxopyrazin-2-yl)amino]acetic acid

C13H19N3O3 — CID 62938320

IUPAC2-cyclohexyl-2-[(4-methyl-3-oxopyrazin-2-yl)amino]acetic acid
SMILESCn1ccnc(NC(C(=O)O)C2CCCCC2)c1=O
InChIInChI=1S/C13H19N3O3/c1-16-8-7-14-11(12(16)17)15-10(13(18)19)9-5-3-2-4-6-9/h7-10H,2-6H2,1H3,(H,14,15)(H,18,19)
InChIKeyBKJFUPDYSWIRLZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.23
Rot. Bonds4

About 2-cyclohexyl-2-[(4-methyl-3-oxopyrazin-2-yl)amino]acetic acid

2-cyclohexyl-2-[(4-methyl-3-oxopyrazin-2-yl)amino]acetic acid (PubChem CID 62938320) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(4-methyl-3-oxopyrazin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(4-methyl-3-oxopyrazin-2-yl)amino]acetic acid
PubChem CID62938320
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-cyclohexyl-2-[(4-methyl-3-oxopyrazin-2-yl)amino]acetic acid
SMILESCn1ccnc(NC(C(=O)O)C2CCCCC2)c1=O
InChIInChI=1S/C13H19N3O3/c1-16-8-7-14-11(12(16)17)15-10(13(18)19)9-5-3-2-4-6-9/h7-10H,2-6H2,1H3,(H,14,15)(H,18,19)
InChIKeyBKJFUPDYSWIRLZ-UHFFFAOYSA-N
XLogP1.23
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclohexyl-2-[(4-methyl-3-oxopyrazin-2-yl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(4-methyl-3-oxopyrazin-2-yl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(4-methyl-3-oxopyrazin-2-yl)amino]acetic acid (CID 62938320) is 2-cyclohexyl-2-[(4-methyl-3-oxopyrazin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(4-methyl-3-oxopyrazin-2-yl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(4-methyl-3-oxopyrazin-2-yl)amino]acetic acid is Cn1ccnc(NC(C(=O)O)C2CCCCC2)c1=O.
What is the InChIKey of 2-cyclohexyl-2-[(4-methyl-3-oxopyrazin-2-yl)amino]acetic acid?
The InChIKey is BKJFUPDYSWIRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-16-8-7-14-11(12(16)17)15-10(13(18)19)9-5-3-2-4-6-9/h7-10H,2-6H2,1H3,(H,14,15)(H,18,19).
What are the key properties of 2-cyclohexyl-2-[(4-methyl-3-oxopyrazin-2-yl)amino]acetic acid?
2-cyclohexyl-2-[(4-methyl-3-oxopyrazin-2-yl)amino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(4-methyl-3-oxopyrazin-2-yl)amino]acetic acid is sourced from PubChem (CID 62938320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).