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

C10H16N2O3 — CID 105465914

IUPAC2-(2-cyclopropyl-3-oxodiazinan-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCCC(=O)N1C1CC1
InChIInChI=1S/C10H16N2O3/c1-7(10(14)15)11-6-2-3-9(13)12(11)8-4-5-8/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyYCUJTAKKRDJBFM-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.46
Rot. Bonds3

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

2-(2-cyclopropyl-3-oxodiazinan-1-yl)propanoic acid (PubChem CID 105465914) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(2-cyclopropyl-3-oxodiazinan-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-cyclopropyl-3-oxodiazinan-1-yl)propanoic acid
PubChem CID105465914
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-(2-cyclopropyl-3-oxodiazinan-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCCC(=O)N1C1CC1
InChIInChI=1S/C10H16N2O3/c1-7(10(14)15)11-6-2-3-9(13)12(11)8-4-5-8/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyYCUJTAKKRDJBFM-UHFFFAOYSA-N
XLogP0.46
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-3-oxodiazinan-1-yl)propanoic acid?
The IUPAC name of 2-(2-cyclopropyl-3-oxodiazinan-1-yl)propanoic acid (CID 105465914) is 2-(2-cyclopropyl-3-oxodiazinan-1-yl)propanoic acid.
What is the SMILES notation for 2-(2-cyclopropyl-3-oxodiazinan-1-yl)propanoic acid?
The canonical SMILES for 2-(2-cyclopropyl-3-oxodiazinan-1-yl)propanoic acid is CC(C(=O)O)N1CCCC(=O)N1C1CC1.
What is the InChIKey of 2-(2-cyclopropyl-3-oxodiazinan-1-yl)propanoic acid?
The InChIKey is YCUJTAKKRDJBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7(10(14)15)11-6-2-3-9(13)12(11)8-4-5-8/h7-8H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-(2-cyclopropyl-3-oxodiazinan-1-yl)propanoic acid?
2-(2-cyclopropyl-3-oxodiazinan-1-yl)propanoic acid has a molecular weight of 212.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-3-oxodiazinan-1-yl)propanoic acid is sourced from PubChem (CID 105465914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).