2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)acetic acid

C7H9NO5 — CID 28789456

IUPAC2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)C1=COCCO1
InChIInChI=1S/C7H9NO5/c9-6(10)3-8-7(11)5-4-12-1-2-13-5/h4H,1-3H2,(H,8,11)(H,9,10)
InChIKeyVFKUUIJEDGCTFM-UHFFFAOYSA-N
MW187.15 g/mol
LogP-0.92
Rot. Bonds3

About 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)acetic acid

2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)acetic acid (PubChem CID 28789456) has the molecular formula C7H9NO5 and a molecular weight of 187.15 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)acetic acid
PubChem CID28789456
Molecular FormulaC7H9NO5
Molecular Weight187.15 g/mol
Exact Mass187.05
IUPAC Name2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)C1=COCCO1
InChIInChI=1S/C7H9NO5/c9-6(10)3-8-7(11)5-4-12-1-2-13-5/h4H,1-3H2,(H,8,11)(H,9,10)
InChIKeyVFKUUIJEDGCTFM-UHFFFAOYSA-N
XLogP-0.92
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)acetic acid?
The IUPAC name of 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)acetic acid (CID 28789456) is 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)acetic acid.
What is the SMILES notation for 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)acetic acid?
The canonical SMILES for 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)acetic acid is O=C(O)CNC(=O)C1=COCCO1.
What is the InChIKey of 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)acetic acid?
The InChIKey is VFKUUIJEDGCTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO5/c9-6(10)3-8-7(11)5-4-12-1-2-13-5/h4H,1-3H2,(H,8,11)(H,9,10).
What are the key properties of 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)acetic acid?
2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)acetic acid has a molecular weight of 187.15 g/mol, XLogP of -0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)acetic acid is sourced from PubChem (CID 28789456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).