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

C9H15NO4 — CID 65219925

IUPAC2-[(2-oxo-1,3-oxazinan-3-yl)methyl]butanoic acid
SMILESCCC(CN1CCCOC1=O)C(=O)O
InChIInChI=1S/C9H15NO4/c1-2-7(8(11)12)6-10-4-3-5-14-9(10)13/h7H,2-6H2,1H3,(H,11,12)
InChIKeyNFBSYLQBDRSDTK-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.94
Rot. Bonds4

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

2-[(2-oxo-1,3-oxazinan-3-yl)methyl]butanoic acid (PubChem CID 65219925) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[(2-oxo-1,3-oxazinan-3-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(2-oxo-1,3-oxazinan-3-yl)methyl]butanoic acid
PubChem CID65219925
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[(2-oxo-1,3-oxazinan-3-yl)methyl]butanoic acid
SMILESCCC(CN1CCCOC1=O)C(=O)O
InChIInChI=1S/C9H15NO4/c1-2-7(8(11)12)6-10-4-3-5-14-9(10)13/h7H,2-6H2,1H3,(H,11,12)
InChIKeyNFBSYLQBDRSDTK-UHFFFAOYSA-N
XLogP0.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1,3-oxazinan-3-yl)methyl]butanoic acid?
The IUPAC name of 2-[(2-oxo-1,3-oxazinan-3-yl)methyl]butanoic acid (CID 65219925) is 2-[(2-oxo-1,3-oxazinan-3-yl)methyl]butanoic acid.
What is the SMILES notation for 2-[(2-oxo-1,3-oxazinan-3-yl)methyl]butanoic acid?
The canonical SMILES for 2-[(2-oxo-1,3-oxazinan-3-yl)methyl]butanoic acid is CCC(CN1CCCOC1=O)C(=O)O.
What is the InChIKey of 2-[(2-oxo-1,3-oxazinan-3-yl)methyl]butanoic acid?
The InChIKey is NFBSYLQBDRSDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-7(8(11)12)6-10-4-3-5-14-9(10)13/h7H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-[(2-oxo-1,3-oxazinan-3-yl)methyl]butanoic acid?
2-[(2-oxo-1,3-oxazinan-3-yl)methyl]butanoic acid has a molecular weight of 201.22 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1,3-oxazinan-3-yl)methyl]butanoic acid is sourced from PubChem (CID 65219925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).