3-(3-cycloheptyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid

C14H23NO4 — CID 117011111

IUPAC3-(3-cycloheptyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid
SMILESO=C(O)CCC1CCN(C2CCCCCC2)C(=O)O1
InChIInChI=1S/C14H23NO4/c16-13(17)8-7-12-9-10-15(14(18)19-12)11-5-3-1-2-4-6-11/h11-12H,1-10H2,(H,16,17)
InChIKeyGEHBKHLFAJRXGW-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.78
Rot. Bonds4

About 3-(3-cycloheptyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid

3-(3-cycloheptyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid (PubChem CID 117011111) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-(3-cycloheptyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-cycloheptyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid
PubChem CID117011111
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-(3-cycloheptyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid
SMILESO=C(O)CCC1CCN(C2CCCCCC2)C(=O)O1
InChIInChI=1S/C14H23NO4/c16-13(17)8-7-12-9-10-15(14(18)19-12)11-5-3-1-2-4-6-11/h11-12H,1-10H2,(H,16,17)
InChIKeyGEHBKHLFAJRXGW-UHFFFAOYSA-N
XLogP2.78
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-cyclopentyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid
CID 117011098
2-(3-cyclopropyl-2-oxo-1,3-oxazinan-6-yl)acetic acid
CID 117011037
3-(4-oxo-1,2,3,6,7,8,9,9a-octahydroquinolizin-3-yl)propanoic acid
CID 70439324
2-(3-cyclobutyl-2-oxo-1,3-oxazolidin-5-yl)acetic acid
CID 115059970
3-cyclohexyl-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 115064770
3-(1-cycloheptylpiperidin-2-yl)propanoic acid
CID 65062233
3-(3-cyclopentyl-2-oxo-1,3-oxazinan-5-yl)propanoic acid
CID 117011208
3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 90189648
6-(hydroxymethyl)-3-piperidin-4-yl-1,3-oxazinan-2-one
CID 117274614
2-(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)acetic acid
CID 82406326
3-(3-cyclohexyl-2-oxo-1,3-oxazinan-4-yl)propanoic acid
CID 117011303
3-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-6-yl]propanoic acid
CID 117011105

Frequently Asked Questions

What is the IUPAC name of 3-(3-cycloheptyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid?
The IUPAC name of 3-(3-cycloheptyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid (CID 117011111) is 3-(3-cycloheptyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid.
What is the SMILES notation for 3-(3-cycloheptyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid?
The canonical SMILES for 3-(3-cycloheptyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid is O=C(O)CCC1CCN(C2CCCCCC2)C(=O)O1.
What is the InChIKey of 3-(3-cycloheptyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid?
The InChIKey is GEHBKHLFAJRXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c16-13(17)8-7-12-9-10-15(14(18)19-12)11-5-3-1-2-4-6-11/h11-12H,1-10H2,(H,16,17).
What are the key properties of 3-(3-cycloheptyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid?
3-(3-cycloheptyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid has a molecular weight of 269.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cycloheptyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid is sourced from PubChem (CID 117011111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).