(6R)-2-oxo-1,3-diazinane-4,6-dicarboxylic acid

C6H8N2O5 — CID 70376519

IUPAC(6R)-2-oxo-1,3-diazinane-4,6-dicarboxylic acid
SMILESO=C1NC(C(=O)O)C[C@H](C(=O)O)N1
InChIInChI=1S/C6H8N2O5/c9-4(10)2-1-3(5(11)12)8-6(13)7-2/h2-3H,1H2,(H,9,10)(H,11,12)(H2,7,8,13)/t2-,3?/m1/s1
InChIKeyMTYSRYDOSXNPKP-STYMGOOTSA-N
MW188.14 g/mol
LogP-1.40
Rot. Bonds2

About (6R)-2-oxo-1,3-diazinane-4,6-dicarboxylic acid

(6R)-2-oxo-1,3-diazinane-4,6-dicarboxylic acid (PubChem CID 70376519) has the molecular formula C6H8N2O5 and a molecular weight of 188.14 g/mol. Its IUPAC name is (6R)-2-oxo-1,3-diazinane-4,6-dicarboxylic acid.

Molecular Properties

Compound Name(6R)-2-oxo-1,3-diazinane-4,6-dicarboxylic acid
PubChem CID70376519
Molecular FormulaC6H8N2O5
Molecular Weight188.14 g/mol
Exact Mass188.04
IUPAC Name(6R)-2-oxo-1,3-diazinane-4,6-dicarboxylic acid
SMILESO=C1NC(C(=O)O)C[C@H](C(=O)O)N1
InChIInChI=1S/C6H8N2O5/c9-4(10)2-1-3(5(11)12)8-6(13)7-2/h2-3H,1H2,(H,9,10)(H,11,12)(H2,7,8,13)/t2-,3?/m1/s1
InChIKeyMTYSRYDOSXNPKP-STYMGOOTSA-N
XLogP-1.40
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.14
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-oxo-1,3-diazinane-4,6-dicarboxylic acid?
The IUPAC name of (6R)-2-oxo-1,3-diazinane-4,6-dicarboxylic acid (CID 70376519) is (6R)-2-oxo-1,3-diazinane-4,6-dicarboxylic acid.
What is the SMILES notation for (6R)-2-oxo-1,3-diazinane-4,6-dicarboxylic acid?
The canonical SMILES for (6R)-2-oxo-1,3-diazinane-4,6-dicarboxylic acid is O=C1NC(C(=O)O)C[C@H](C(=O)O)N1.
What is the InChIKey of (6R)-2-oxo-1,3-diazinane-4,6-dicarboxylic acid?
The InChIKey is MTYSRYDOSXNPKP-STYMGOOTSA-N. The full InChI is InChI=1S/C6H8N2O5/c9-4(10)2-1-3(5(11)12)8-6(13)7-2/h2-3H,1H2,(H,9,10)(H,11,12)(H2,7,8,13)/t2-,3?/m1/s1.
What are the key properties of (6R)-2-oxo-1,3-diazinane-4,6-dicarboxylic acid?
(6R)-2-oxo-1,3-diazinane-4,6-dicarboxylic acid has a molecular weight of 188.14 g/mol, XLogP of -1.40, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-oxo-1,3-diazinane-4,6-dicarboxylic acid is sourced from PubChem (CID 70376519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).