5-[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazinan-2-yl]pentanoic acid

C14H25NO5 — CID 58750922

IUPAC5-[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazinan-2-yl]pentanoic acid
SMILESCC(C)(C)OC(=O)N1CCCOC1CCCCC(=O)O
InChIInChI=1S/C14H25NO5/c1-14(2,3)20-13(18)15-9-6-10-19-11(15)7-4-5-8-12(16)17/h11H,4-10H2,1-3H3,(H,16,17)
InChIKeyYYGBESFOHHPBJT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.61
Rot. Bonds5

About 5-[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazinan-2-yl]pentanoic acid

5-[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazinan-2-yl]pentanoic acid (PubChem CID 58750922) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazinan-2-yl]pentanoic acid.

Molecular Properties

Compound Name5-[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazinan-2-yl]pentanoic acid
PubChem CID58750922
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name5-[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazinan-2-yl]pentanoic acid
SMILESCC(C)(C)OC(=O)N1CCCOC1CCCCC(=O)O
InChIInChI=1S/C14H25NO5/c1-14(2,3)20-13(18)15-9-6-10-19-11(15)7-4-5-8-12(16)17/h11H,4-10H2,1-3H3,(H,16,17)
InChIKeyYYGBESFOHHPBJT-UHFFFAOYSA-N
XLogP2.61
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazinan-2-yl]pentanoic acid?
The IUPAC name of 5-[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazinan-2-yl]pentanoic acid (CID 58750922) is 5-[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazinan-2-yl]pentanoic acid.
What is the SMILES notation for 5-[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazinan-2-yl]pentanoic acid?
The canonical SMILES for 5-[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazinan-2-yl]pentanoic acid is CC(C)(C)OC(=O)N1CCCOC1CCCCC(=O)O.
What is the InChIKey of 5-[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazinan-2-yl]pentanoic acid?
The InChIKey is YYGBESFOHHPBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-14(2,3)20-13(18)15-9-6-10-19-11(15)7-4-5-8-12(16)17/h11H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 5-[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazinan-2-yl]pentanoic acid?
5-[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazinan-2-yl]pentanoic acid has a molecular weight of 287.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazinan-2-yl]pentanoic acid is sourced from PubChem (CID 58750922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).