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

C8H13NO5 — CID 81078832

IUPAC3-methoxy-2-(2-oxo-1,3-oxazinan-3-yl)propanoic acid
SMILESCOCC(C(=O)O)N1CCCOC1=O
InChIInChI=1S/C8H13NO5/c1-13-5-6(7(10)11)9-3-2-4-14-8(9)12/h6H,2-5H2,1H3,(H,10,11)
InChIKeyMQILPJIQTZROGC-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.07
Rot. Bonds4

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

3-methoxy-2-(2-oxo-1,3-oxazinan-3-yl)propanoic acid (PubChem CID 81078832) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 3-methoxy-2-(2-oxo-1,3-oxazinan-3-yl)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(2-oxo-1,3-oxazinan-3-yl)propanoic acid
PubChem CID81078832
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name3-methoxy-2-(2-oxo-1,3-oxazinan-3-yl)propanoic acid
SMILESCOCC(C(=O)O)N1CCCOC1=O
InChIInChI=1S/C8H13NO5/c1-13-5-6(7(10)11)9-3-2-4-14-8(9)12/h6H,2-5H2,1H3,(H,10,11)
InChIKeyMQILPJIQTZROGC-UHFFFAOYSA-N
XLogP-0.07
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-oxo-1,3-oxazinan-3-yl)propanoic acid?
The IUPAC name of 3-methoxy-2-(2-oxo-1,3-oxazinan-3-yl)propanoic acid (CID 81078832) is 3-methoxy-2-(2-oxo-1,3-oxazinan-3-yl)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(2-oxo-1,3-oxazinan-3-yl)propanoic acid?
The canonical SMILES for 3-methoxy-2-(2-oxo-1,3-oxazinan-3-yl)propanoic acid is COCC(C(=O)O)N1CCCOC1=O.
What is the InChIKey of 3-methoxy-2-(2-oxo-1,3-oxazinan-3-yl)propanoic acid?
The InChIKey is MQILPJIQTZROGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-13-5-6(7(10)11)9-3-2-4-14-8(9)12/h6H,2-5H2,1H3,(H,10,11).
What are the key properties of 3-methoxy-2-(2-oxo-1,3-oxazinan-3-yl)propanoic acid?
3-methoxy-2-(2-oxo-1,3-oxazinan-3-yl)propanoic acid has a molecular weight of 203.19 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-oxo-1,3-oxazinan-3-yl)propanoic acid is sourced from PubChem (CID 81078832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).