2-[[2-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxyacetyl]amino]acetic acid

C14H25NO5 — CID 118668933

IUPAC2-[[2-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxyacetyl]amino]acetic acid
SMILESCCC1OC(OCC(=O)NCC(=O)O)C(C)C(C)C1C
InChIInChI=1S/C14H25NO5/c1-5-11-9(3)8(2)10(4)14(20-11)19-7-12(16)15-6-13(17)18/h8-11,14H,5-7H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyPOBRTGPMFDJCTM-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.25
Rot. Bonds6

About 2-[[2-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxyacetyl]amino]acetic acid

2-[[2-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxyacetyl]amino]acetic acid (PubChem CID 118668933) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[2-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxyacetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxyacetyl]amino]acetic acid
PubChem CID118668933
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name2-[[2-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxyacetyl]amino]acetic acid
SMILESCCC1OC(OCC(=O)NCC(=O)O)C(C)C(C)C1C
InChIInChI=1S/C14H25NO5/c1-5-11-9(3)8(2)10(4)14(20-11)19-7-12(16)15-6-13(17)18/h8-11,14H,5-7H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyPOBRTGPMFDJCTM-UHFFFAOYSA-N
XLogP1.25
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxyacetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxyacetyl]amino]acetic acid (CID 118668933) is 2-[[2-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxyacetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxyacetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxyacetyl]amino]acetic acid is CCC1OC(OCC(=O)NCC(=O)O)C(C)C(C)C1C.
What is the InChIKey of 2-[[2-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxyacetyl]amino]acetic acid?
The InChIKey is POBRTGPMFDJCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-5-11-9(3)8(2)10(4)14(20-11)19-7-12(16)15-6-13(17)18/h8-11,14H,5-7H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxyacetyl]amino]acetic acid?
2-[[2-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxyacetyl]amino]acetic acid has a molecular weight of 287.36 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxyacetyl]amino]acetic acid is sourced from PubChem (CID 118668933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).