2,2-dimethyl-3-(3-oxodiazinan-1-yl)propanoic acid

C9H16N2O3 — CID 105452749

IUPAC2,2-dimethyl-3-(3-oxodiazinan-1-yl)propanoic acid
SMILESCC(C)(CN1CCCC(=O)N1)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-9(2,8(13)14)6-11-5-3-4-7(12)10-11/h3-6H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyRIUMTAHOXZDTNH-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.22
Rot. Bonds3

About 2,2-dimethyl-3-(3-oxodiazinan-1-yl)propanoic acid

2,2-dimethyl-3-(3-oxodiazinan-1-yl)propanoic acid (PubChem CID 105452749) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-oxodiazinan-1-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-oxodiazinan-1-yl)propanoic acid
PubChem CID105452749
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2,2-dimethyl-3-(3-oxodiazinan-1-yl)propanoic acid
SMILESCC(C)(CN1CCCC(=O)N1)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-9(2,8(13)14)6-11-5-3-4-7(12)10-11/h3-6H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyRIUMTAHOXZDTNH-UHFFFAOYSA-N
XLogP0.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-oxodiazinan-1-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(3-oxodiazinan-1-yl)propanoic acid (CID 105452749) is 2,2-dimethyl-3-(3-oxodiazinan-1-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(3-oxodiazinan-1-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(3-oxodiazinan-1-yl)propanoic acid is CC(C)(CN1CCCC(=O)N1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(3-oxodiazinan-1-yl)propanoic acid?
The InChIKey is RIUMTAHOXZDTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-9(2,8(13)14)6-11-5-3-4-7(12)10-11/h3-6H2,1-2H3,(H,10,12)(H,13,14).
What are the key properties of 2,2-dimethyl-3-(3-oxodiazinan-1-yl)propanoic acid?
2,2-dimethyl-3-(3-oxodiazinan-1-yl)propanoic acid has a molecular weight of 200.24 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-oxodiazinan-1-yl)propanoic acid is sourced from PubChem (CID 105452749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).