2-cyclohexyl-2-[(3,6-dimethylpyrazin-2-yl)amino]acetic acid

C14H21N3O2 — CID 65417741

IUPAC2-cyclohexyl-2-[(3,6-dimethylpyrazin-2-yl)amino]acetic acid
SMILESCc1cnc(C)c(NC(C(=O)O)C2CCCCC2)n1
InChIInChI=1S/C14H21N3O2/c1-9-8-15-10(2)13(16-9)17-12(14(18)19)11-6-4-3-5-7-11/h8,11-12H,3-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyPVOSWSGBQINHLM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.54
Rot. Bonds4

About 2-cyclohexyl-2-[(3,6-dimethylpyrazin-2-yl)amino]acetic acid

2-cyclohexyl-2-[(3,6-dimethylpyrazin-2-yl)amino]acetic acid (PubChem CID 65417741) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(3,6-dimethylpyrazin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(3,6-dimethylpyrazin-2-yl)amino]acetic acid
PubChem CID65417741
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-cyclohexyl-2-[(3,6-dimethylpyrazin-2-yl)amino]acetic acid
SMILESCc1cnc(C)c(NC(C(=O)O)C2CCCCC2)n1
InChIInChI=1S/C14H21N3O2/c1-9-8-15-10(2)13(16-9)17-12(14(18)19)11-6-4-3-5-7-11/h8,11-12H,3-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyPVOSWSGBQINHLM-UHFFFAOYSA-N
XLogP2.54
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(3,6-dimethylpyrazin-2-yl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(3,6-dimethylpyrazin-2-yl)amino]acetic acid (CID 65417741) is 2-cyclohexyl-2-[(3,6-dimethylpyrazin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(3,6-dimethylpyrazin-2-yl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(3,6-dimethylpyrazin-2-yl)amino]acetic acid is Cc1cnc(C)c(NC(C(=O)O)C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-2-[(3,6-dimethylpyrazin-2-yl)amino]acetic acid?
The InChIKey is PVOSWSGBQINHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-8-15-10(2)13(16-9)17-12(14(18)19)11-6-4-3-5-7-11/h8,11-12H,3-7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-cyclohexyl-2-[(3,6-dimethylpyrazin-2-yl)amino]acetic acid?
2-cyclohexyl-2-[(3,6-dimethylpyrazin-2-yl)amino]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(3,6-dimethylpyrazin-2-yl)amino]acetic acid is sourced from PubChem (CID 65417741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).