2-[(3,6-dimethylpyrazin-2-yl)-propan-2-ylamino]acetic acid

C11H17N3O2 — CID 65416877

IUPAC2-[(3,6-dimethylpyrazin-2-yl)-propan-2-ylamino]acetic acid
SMILESCc1cnc(C)c(N(CC(=O)O)C(C)C)n1
InChIInChI=1S/C11H17N3O2/c1-7(2)14(6-10(15)16)11-9(4)12-5-8(3)13-11/h5,7H,6H2,1-4H3,(H,15,16)
InChIKeyUDGAWRBFMRTTOT-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.39
Rot. Bonds4

About 2-[(3,6-dimethylpyrazin-2-yl)-propan-2-ylamino]acetic acid

2-[(3,6-dimethylpyrazin-2-yl)-propan-2-ylamino]acetic acid (PubChem CID 65416877) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(3,6-dimethylpyrazin-2-yl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(3,6-dimethylpyrazin-2-yl)-propan-2-ylamino]acetic acid
PubChem CID65416877
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[(3,6-dimethylpyrazin-2-yl)-propan-2-ylamino]acetic acid
SMILESCc1cnc(C)c(N(CC(=O)O)C(C)C)n1
InChIInChI=1S/C11H17N3O2/c1-7(2)14(6-10(15)16)11-9(4)12-5-8(3)13-11/h5,7H,6H2,1-4H3,(H,15,16)
InChIKeyUDGAWRBFMRTTOT-UHFFFAOYSA-N
XLogP1.39
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3,6-dimethylpyrazin-2-yl)-propan-2-ylamino]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-[(3,6-dimethylpyrazin-2-yl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(3,6-dimethylpyrazin-2-yl)-propan-2-ylamino]acetic acid (CID 65416877) is 2-[(3,6-dimethylpyrazin-2-yl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(3,6-dimethylpyrazin-2-yl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(3,6-dimethylpyrazin-2-yl)-propan-2-ylamino]acetic acid is Cc1cnc(C)c(N(CC(=O)O)C(C)C)n1.
What is the InChIKey of 2-[(3,6-dimethylpyrazin-2-yl)-propan-2-ylamino]acetic acid?
The InChIKey is UDGAWRBFMRTTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)14(6-10(15)16)11-9(4)12-5-8(3)13-11/h5,7H,6H2,1-4H3,(H,15,16).
What are the key properties of 2-[(3,6-dimethylpyrazin-2-yl)-propan-2-ylamino]acetic acid?
2-[(3,6-dimethylpyrazin-2-yl)-propan-2-ylamino]acetic acid has a molecular weight of 223.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dimethylpyrazin-2-yl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 65416877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).