2-methyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid

C9H16N2O3 — CID 105452748

IUPAC2-methyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid
SMILESCC(CN1CCCC(=O)N1C)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-7(9(13)14)6-11-5-3-4-8(12)10(11)2/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyHZMYQGLADBBNPX-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.18
Rot. Bonds3

About 2-methyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid

2-methyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid (PubChem CID 105452748) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-methyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid
PubChem CID105452748
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-methyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid
SMILESCC(CN1CCCC(=O)N1C)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-7(9(13)14)6-11-5-3-4-8(12)10(11)2/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyHZMYQGLADBBNPX-UHFFFAOYSA-N
XLogP0.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid (CID 105452748) is 2-methyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid is CC(CN1CCCC(=O)N1C)C(=O)O.
What is the InChIKey of 2-methyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid?
The InChIKey is HZMYQGLADBBNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7(9(13)14)6-11-5-3-4-8(12)10(11)2/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid?
2-methyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid has a molecular weight of 200.24 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid is sourced from PubChem (CID 105452748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).