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

C10H18N2O3 — CID 105467621

IUPAC2,2-dimethyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid
SMILESCN1C(=O)CCCN1CC(C)(C)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-10(2,9(14)15)7-12-6-4-5-8(13)11(12)3/h4-7H2,1-3H3,(H,14,15)
InChIKeyDQYRPEJGISTILY-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.57
Rot. Bonds3

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

2,2-dimethyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid (PubChem CID 105467621) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid
PubChem CID105467621
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2,2-dimethyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid
SMILESCN1C(=O)CCCN1CC(C)(C)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-10(2,9(14)15)7-12-6-4-5-8(13)11(12)3/h4-7H2,1-3H3,(H,14,15)
InChIKeyDQYRPEJGISTILY-UHFFFAOYSA-N
XLogP0.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid (CID 105467621) is 2,2-dimethyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid is CN1C(=O)CCCN1CC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid?
The InChIKey is DQYRPEJGISTILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,9(14)15)7-12-6-4-5-8(13)11(12)3/h4-7H2,1-3H3,(H,14,15).
What are the key properties of 2,2-dimethyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid?
2,2-dimethyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methyl-3-oxodiazinan-1-yl)propanoic acid is sourced from PubChem (CID 105467621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).