2-amino-2-methyl-3-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoic acid

C9H13N3O5 — CID 59107032

IUPAC2-amino-2-methyl-3-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoic acid
SMILESCN1C(=O)NC(=O)C(CC(C)(N)C(=O)O)C1=O
InChIInChI=1S/C9H13N3O5/c1-9(10,7(15)16)3-4-5(13)11-8(17)12(2)6(4)14/h4H,3,10H2,1-2H3,(H,15,16)(H,11,13,17)
InChIKeyQGDADCGVIWHMQO-UHFFFAOYSA-N
MW243.22 g/mol
LogP-1.50
Rot. Bonds3

About 2-amino-2-methyl-3-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoic acid

2-amino-2-methyl-3-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoic acid (PubChem CID 59107032) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-amino-2-methyl-3-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-3-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoic acid
PubChem CID59107032
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC Name2-amino-2-methyl-3-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoic acid
SMILESCN1C(=O)NC(=O)C(CC(C)(N)C(=O)O)C1=O
InChIInChI=1S/C9H13N3O5/c1-9(10,7(15)16)3-4-5(13)11-8(17)12(2)6(4)14/h4H,3,10H2,1-2H3,(H,15,16)(H,11,13,17)
InChIKeyQGDADCGVIWHMQO-UHFFFAOYSA-N
XLogP-1.50
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-amino-2-methyl-3-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoic 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-methyl-3-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoic acid?
The IUPAC name of 2-amino-2-methyl-3-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoic acid (CID 59107032) is 2-amino-2-methyl-3-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoic acid.
What is the SMILES notation for 2-amino-2-methyl-3-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoic acid?
The canonical SMILES for 2-amino-2-methyl-3-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoic acid is CN1C(=O)NC(=O)C(CC(C)(N)C(=O)O)C1=O.
What is the InChIKey of 2-amino-2-methyl-3-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoic acid?
The InChIKey is QGDADCGVIWHMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5/c1-9(10,7(15)16)3-4-5(13)11-8(17)12(2)6(4)14/h4H,3,10H2,1-2H3,(H,15,16)(H,11,13,17).
What are the key properties of 2-amino-2-methyl-3-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoic acid?
2-amino-2-methyl-3-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoic acid has a molecular weight of 243.22 g/mol, XLogP of -1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoic acid is sourced from PubChem (CID 59107032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).