2-amino-2-(4,5-dimethoxypyrimidin-2-yl)acetic acid

C8H11N3O4 — CID 84782547

IUPAC2-amino-2-(4,5-dimethoxypyrimidin-2-yl)acetic acid
SMILESCOc1cnc(C(N)C(=O)O)nc1OC
InChIInChI=1S/C8H11N3O4/c1-14-4-3-10-6(5(9)8(12)13)11-7(4)15-2/h3,5H,9H2,1-2H3,(H,12,13)
InChIKeyKFHKUFAMGZQDME-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.42
Rot. Bonds4

About 2-amino-2-(4,5-dimethoxypyrimidin-2-yl)acetic acid

2-amino-2-(4,5-dimethoxypyrimidin-2-yl)acetic acid (PubChem CID 84782547) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-amino-2-(4,5-dimethoxypyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4,5-dimethoxypyrimidin-2-yl)acetic acid
PubChem CID84782547
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-amino-2-(4,5-dimethoxypyrimidin-2-yl)acetic acid
SMILESCOc1cnc(C(N)C(=O)O)nc1OC
InChIInChI=1S/C8H11N3O4/c1-14-4-3-10-6(5(9)8(12)13)11-7(4)15-2/h3,5H,9H2,1-2H3,(H,12,13)
InChIKeyKFHKUFAMGZQDME-UHFFFAOYSA-N
XLogP-0.42
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-2-(4,5-dimethoxypyrimidin-2-yl)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-amino-2-(4,5-dimethoxypyrimidin-2-yl)acetic acid?
The IUPAC name of 2-amino-2-(4,5-dimethoxypyrimidin-2-yl)acetic acid (CID 84782547) is 2-amino-2-(4,5-dimethoxypyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(4,5-dimethoxypyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-amino-2-(4,5-dimethoxypyrimidin-2-yl)acetic acid is COc1cnc(C(N)C(=O)O)nc1OC.
What is the InChIKey of 2-amino-2-(4,5-dimethoxypyrimidin-2-yl)acetic acid?
The InChIKey is KFHKUFAMGZQDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-14-4-3-10-6(5(9)8(12)13)11-7(4)15-2/h3,5H,9H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-2-(4,5-dimethoxypyrimidin-2-yl)acetic acid?
2-amino-2-(4,5-dimethoxypyrimidin-2-yl)acetic acid has a molecular weight of 213.19 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4,5-dimethoxypyrimidin-2-yl)acetic acid is sourced from PubChem (CID 84782547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).