2-[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid

C14H22N2O5 — CID 102658799

IUPAC2-[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)N2CCOC3CCCC32)C1
InChIInChI=1S/C14H22N2O5/c1-14(21-7-12(17)18)8-15(9-14)13(19)16-5-6-20-11-4-2-3-10(11)16/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyCGLVPIRUNJVZPP-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.54
Rot. Bonds3

About 2-[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102658799) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102658799
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name2-[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)N2CCOC3CCCC32)C1
InChIInChI=1S/C14H22N2O5/c1-14(21-7-12(17)18)8-15(9-14)13(19)16-5-6-20-11-4-2-3-10(11)16/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyCGLVPIRUNJVZPP-UHFFFAOYSA-N
XLogP0.54
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102658799) is 2-[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(C(=O)N2CCOC3CCCC32)C1.
What is the InChIKey of 2-[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is CGLVPIRUNJVZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-14(21-7-12(17)18)8-15(9-14)13(19)16-5-6-20-11-4-2-3-10(11)16/h10-11H,2-9H2,1H3,(H,17,18).
What are the key properties of 2-[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 298.34 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).