2-(3-oxodiazinan-1-yl)acetic acid

C6H10N2O3 — CID 105430893

IUPAC2-(3-oxodiazinan-1-yl)acetic acid
SMILESO=C(O)CN1CCCC(=O)N1
InChIInChI=1S/C6H10N2O3/c9-5-2-1-3-8(7-5)4-6(10)11/h1-4H2,(H,7,9)(H,10,11)
InChIKeyJSRFZSUHQRPICU-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.80
Rot. Bonds2

About 2-(3-oxodiazinan-1-yl)acetic acid

2-(3-oxodiazinan-1-yl)acetic acid (PubChem CID 105430893) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-(3-oxodiazinan-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-oxodiazinan-1-yl)acetic acid
PubChem CID105430893
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name2-(3-oxodiazinan-1-yl)acetic acid
SMILESO=C(O)CN1CCCC(=O)N1
InChIInChI=1S/C6H10N2O3/c9-5-2-1-3-8(7-5)4-6(10)11/h1-4H2,(H,7,9)(H,10,11)
InChIKeyJSRFZSUHQRPICU-UHFFFAOYSA-N
XLogP-0.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxodiazinan-1-yl)acetic acid?
The IUPAC name of 2-(3-oxodiazinan-1-yl)acetic acid (CID 105430893) is 2-(3-oxodiazinan-1-yl)acetic acid.
What is the SMILES notation for 2-(3-oxodiazinan-1-yl)acetic acid?
The canonical SMILES for 2-(3-oxodiazinan-1-yl)acetic acid is O=C(O)CN1CCCC(=O)N1.
What is the InChIKey of 2-(3-oxodiazinan-1-yl)acetic acid?
The InChIKey is JSRFZSUHQRPICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c9-5-2-1-3-8(7-5)4-6(10)11/h1-4H2,(H,7,9)(H,10,11).
What are the key properties of 2-(3-oxodiazinan-1-yl)acetic acid?
2-(3-oxodiazinan-1-yl)acetic acid has a molecular weight of 158.16 g/mol, XLogP of -0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxodiazinan-1-yl)acetic acid is sourced from PubChem (CID 105430893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).