acetic acid;3,6-dihydro-2H-1,4-oxazin-5-amine

C6H12N2O3 — CID 69049962

IUPACacetic acid;3,6-dihydro-2H-1,4-oxazin-5-amine
SMILESCC(=O)O.NC1=NCCOC1
InChIInChI=1S/C4H8N2O.C2H4O2/c5-4-3-7-2-1-6-4;1-2(3)4/h1-3H2,(H2,5,6);1H3,(H,3,4)
InChIKeyHGIGOGUOLCSISA-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.54
Rot. Bonds

About acetic acid;3,6-dihydro-2H-1,4-oxazin-5-amine

acetic acid;3,6-dihydro-2H-1,4-oxazin-5-amine (PubChem CID 69049962) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is acetic acid;3,6-dihydro-2H-1,4-oxazin-5-amine.

Molecular Properties

Compound Nameacetic acid;3,6-dihydro-2H-1,4-oxazin-5-amine
PubChem CID69049962
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Nameacetic acid;3,6-dihydro-2H-1,4-oxazin-5-amine
SMILESCC(=O)O.NC1=NCCOC1
InChIInChI=1S/C4H8N2O.C2H4O2/c5-4-3-7-2-1-6-4;1-2(3)4/h1-3H2,(H2,5,6);1H3,(H,3,4)
InChIKeyHGIGOGUOLCSISA-UHFFFAOYSA-N
XLogP-0.54
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;3,6-dihydro-2H-1,4-oxazin-5-amine?
The IUPAC name of acetic acid;3,6-dihydro-2H-1,4-oxazin-5-amine (CID 69049962) is acetic acid;3,6-dihydro-2H-1,4-oxazin-5-amine.
What is the SMILES notation for acetic acid;3,6-dihydro-2H-1,4-oxazin-5-amine?
The canonical SMILES for acetic acid;3,6-dihydro-2H-1,4-oxazin-5-amine is CC(=O)O.NC1=NCCOC1.
What is the InChIKey of acetic acid;3,6-dihydro-2H-1,4-oxazin-5-amine?
The InChIKey is HGIGOGUOLCSISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O.C2H4O2/c5-4-3-7-2-1-6-4;1-2(3)4/h1-3H2,(H2,5,6);1H3,(H,3,4).
What are the key properties of acetic acid;3,6-dihydro-2H-1,4-oxazin-5-amine?
acetic acid;3,6-dihydro-2H-1,4-oxazin-5-amine has a molecular weight of 160.17 g/mol, XLogP of -0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3,6-dihydro-2H-1,4-oxazin-5-amine is sourced from PubChem (CID 69049962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).