3-methyl-3-(2-oxo-1,3-oxazinan-3-yl)butanoic acid

C9H15NO4 — CID 64701194

IUPAC3-methyl-3-(2-oxo-1,3-oxazinan-3-yl)butanoic acid
SMILESCC(C)(CC(=O)O)N1CCCOC1=O
InChIInChI=1S/C9H15NO4/c1-9(2,6-7(11)12)10-4-3-5-14-8(10)13/h3-6H2,1-2H3,(H,11,12)
InChIKeyCQYDRBDFCCEUKO-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.08
Rot. Bonds3

About 3-methyl-3-(2-oxo-1,3-oxazinan-3-yl)butanoic acid

3-methyl-3-(2-oxo-1,3-oxazinan-3-yl)butanoic acid (PubChem CID 64701194) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-methyl-3-(2-oxo-1,3-oxazinan-3-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-3-(2-oxo-1,3-oxazinan-3-yl)butanoic acid
PubChem CID64701194
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-methyl-3-(2-oxo-1,3-oxazinan-3-yl)butanoic acid
SMILESCC(C)(CC(=O)O)N1CCCOC1=O
InChIInChI=1S/C9H15NO4/c1-9(2,6-7(11)12)10-4-3-5-14-8(10)13/h3-6H2,1-2H3,(H,11,12)
InChIKeyCQYDRBDFCCEUKO-UHFFFAOYSA-N
XLogP1.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-oxo-1,3-oxazinan-3-yl)butanoic acid?
The IUPAC name of 3-methyl-3-(2-oxo-1,3-oxazinan-3-yl)butanoic acid (CID 64701194) is 3-methyl-3-(2-oxo-1,3-oxazinan-3-yl)butanoic acid.
What is the SMILES notation for 3-methyl-3-(2-oxo-1,3-oxazinan-3-yl)butanoic acid?
The canonical SMILES for 3-methyl-3-(2-oxo-1,3-oxazinan-3-yl)butanoic acid is CC(C)(CC(=O)O)N1CCCOC1=O.
What is the InChIKey of 3-methyl-3-(2-oxo-1,3-oxazinan-3-yl)butanoic acid?
The InChIKey is CQYDRBDFCCEUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-9(2,6-7(11)12)10-4-3-5-14-8(10)13/h3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-methyl-3-(2-oxo-1,3-oxazinan-3-yl)butanoic acid?
3-methyl-3-(2-oxo-1,3-oxazinan-3-yl)butanoic acid has a molecular weight of 201.22 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-oxo-1,3-oxazinan-3-yl)butanoic acid is sourced from PubChem (CID 64701194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).