(3R)-diazinane-3,4-dicarboxylic acid

C6H10N2O4 — CID 70072586

IUPAC(3R)-diazinane-3,4-dicarboxylic acid
SMILESO=C(O)C1CCNN[C@H]1C(=O)O
InChIInChI=1S/C6H10N2O4/c9-5(10)3-1-2-7-8-4(3)6(11)12/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12)/t3?,4-/m1/s1
InChIKeyGADAHAZRXLUJDA-SRBOSORUSA-N
MW174.16 g/mol
LogP-1.36
Rot. Bonds2

About (3R)-diazinane-3,4-dicarboxylic acid

(3R)-diazinane-3,4-dicarboxylic acid (PubChem CID 70072586) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is (3R)-diazinane-3,4-dicarboxylic acid.

Molecular Properties

Compound Name(3R)-diazinane-3,4-dicarboxylic acid
PubChem CID70072586
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name(3R)-diazinane-3,4-dicarboxylic acid
SMILESO=C(O)C1CCNN[C@H]1C(=O)O
InChIInChI=1S/C6H10N2O4/c9-5(10)3-1-2-7-8-4(3)6(11)12/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12)/t3?,4-/m1/s1
InChIKeyGADAHAZRXLUJDA-SRBOSORUSA-N
XLogP-1.36
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-diazinane-3,4-dicarboxylic acid?
The IUPAC name of (3R)-diazinane-3,4-dicarboxylic acid (CID 70072586) is (3R)-diazinane-3,4-dicarboxylic acid.
What is the SMILES notation for (3R)-diazinane-3,4-dicarboxylic acid?
The canonical SMILES for (3R)-diazinane-3,4-dicarboxylic acid is O=C(O)C1CCNN[C@H]1C(=O)O.
What is the InChIKey of (3R)-diazinane-3,4-dicarboxylic acid?
The InChIKey is GADAHAZRXLUJDA-SRBOSORUSA-N. The full InChI is InChI=1S/C6H10N2O4/c9-5(10)3-1-2-7-8-4(3)6(11)12/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12)/t3?,4-/m1/s1.
What are the key properties of (3R)-diazinane-3,4-dicarboxylic acid?
(3R)-diazinane-3,4-dicarboxylic acid has a molecular weight of 174.16 g/mol, XLogP of -1.36, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-diazinane-3,4-dicarboxylic acid is sourced from PubChem (CID 70072586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).