2-oxo-1,3-diazinane-5-carboxylic acid

C5H8N2O3 — CID 89475352

IUPAC2-oxo-1,3-diazinane-5-carboxylic acid
SMILESO=C1NCC(C(=O)O)CN1
InChIInChI=1S/C5H8N2O3/c8-4(9)3-1-6-5(10)7-2-3/h3H,1-2H2,(H,8,9)(H2,6,7,10)
InChIKeyGNBZPNLXQHLZPX-UHFFFAOYSA-N
MW144.13 g/mol
LogP-1.00
Rot. Bonds1

About 2-oxo-1,3-diazinane-5-carboxylic acid

2-oxo-1,3-diazinane-5-carboxylic acid (PubChem CID 89475352) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 2-oxo-1,3-diazinane-5-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1,3-diazinane-5-carboxylic acid
PubChem CID89475352
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name2-oxo-1,3-diazinane-5-carboxylic acid
SMILESO=C1NCC(C(=O)O)CN1
InChIInChI=1S/C5H8N2O3/c8-4(9)3-1-6-5(10)7-2-3/h3H,1-2H2,(H,8,9)(H2,6,7,10)
InChIKeyGNBZPNLXQHLZPX-UHFFFAOYSA-N
XLogP-1.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,3-diazinane-5-carboxylic acid?
The IUPAC name of 2-oxo-1,3-diazinane-5-carboxylic acid (CID 89475352) is 2-oxo-1,3-diazinane-5-carboxylic acid.
What is the SMILES notation for 2-oxo-1,3-diazinane-5-carboxylic acid?
The canonical SMILES for 2-oxo-1,3-diazinane-5-carboxylic acid is O=C1NCC(C(=O)O)CN1.
What is the InChIKey of 2-oxo-1,3-diazinane-5-carboxylic acid?
The InChIKey is GNBZPNLXQHLZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c8-4(9)3-1-6-5(10)7-2-3/h3H,1-2H2,(H,8,9)(H2,6,7,10).
What are the key properties of 2-oxo-1,3-diazinane-5-carboxylic acid?
2-oxo-1,3-diazinane-5-carboxylic acid has a molecular weight of 144.13 g/mol, XLogP of -1.00, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3-diazinane-5-carboxylic acid is sourced from PubChem (CID 89475352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).