3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid

C7H11NO4 — CID 61349431

IUPAC3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid
SMILESO=C(O)CCN1CCCOC1=O
InChIInChI=1S/C7H11NO4/c9-6(10)2-4-8-3-1-5-12-7(8)11/h1-5H2,(H,9,10)
InChIKeyMPKYDYURXMRGMY-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.30
Rot. Bonds3

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

3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid (PubChem CID 61349431) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid
PubChem CID61349431
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid
SMILESO=C(O)CCN1CCCOC1=O
InChIInChI=1S/C7H11NO4/c9-6(10)2-4-8-3-1-5-12-7(8)11/h1-5H2,(H,9,10)
InChIKeyMPKYDYURXMRGMY-UHFFFAOYSA-N
XLogP0.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid?
The IUPAC name of 3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid (CID 61349431) is 3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid.
What is the SMILES notation for 3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid?
The canonical SMILES for 3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid is O=C(O)CCN1CCCOC1=O.
What is the InChIKey of 3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid?
The InChIKey is MPKYDYURXMRGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c9-6(10)2-4-8-3-1-5-12-7(8)11/h1-5H2,(H,9,10).
What are the key properties of 3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid?
3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid has a molecular weight of 173.17 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid is sourced from PubChem (CID 61349431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).