(1R)-2,5-diazabicyclo[2.2.1]heptane-2,6-dicarboxylic acid

C7H10N2O4 — CID 68887875

IUPAC(1R)-2,5-diazabicyclo[2.2.1]heptane-2,6-dicarboxylic acid
SMILESO=C(O)C1NC2C[C@H]1N(C(=O)O)C2
InChIInChI=1S/C7H10N2O4/c10-6(11)5-4-1-3(8-5)2-9(4)7(12)13/h3-5,8H,1-2H2,(H,10,11)(H,12,13)/t3?,4-,5?/m1/s1
InChIKeyAMGZCKXSCSECFQ-ACHVEOLNSA-N
MW186.17 g/mol
LogP-0.84
Rot. Bonds1

About (1R)-2,5-diazabicyclo[2.2.1]heptane-2,6-dicarboxylic acid

(1R)-2,5-diazabicyclo[2.2.1]heptane-2,6-dicarboxylic acid (PubChem CID 68887875) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is (1R)-2,5-diazabicyclo[2.2.1]heptane-2,6-dicarboxylic acid.

Molecular Properties

Compound Name(1R)-2,5-diazabicyclo[2.2.1]heptane-2,6-dicarboxylic acid
PubChem CID68887875
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name(1R)-2,5-diazabicyclo[2.2.1]heptane-2,6-dicarboxylic acid
SMILESO=C(O)C1NC2C[C@H]1N(C(=O)O)C2
InChIInChI=1S/C7H10N2O4/c10-6(11)5-4-1-3(8-5)2-9(4)7(12)13/h3-5,8H,1-2H2,(H,10,11)(H,12,13)/t3?,4-,5?/m1/s1
InChIKeyAMGZCKXSCSECFQ-ACHVEOLNSA-N
XLogP-0.84
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-azabicyclo[2.1.1]hexane-3-carboxylic acid
CID 83814998
6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 90415558
4-(methylamino)pyrrolidine-1,2-dicarboxylic acid
CID 22181503
(1R,3R,4S,5R)-2-azabicyclo[2.2.1]heptane-3,5-dicarboxylic acid
CID 101233675
(2S,4S)-pyrrolidine-1,2,4-tricarboxylic acid
CID 57440863
2-aminoaziridine-1-carboxylic acid
CID 154148433
(1R,6S)-3,8-diazabicyclo[4.2.0]octane-8-carboxylic acid
CID 68697896
(1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2,3-dicarboxylic acid
CID 146225287
5,5-difluoro-2-azabicyclo[2.2.2]octane-3-carboxylic acid;hydrochloride
CID 122200620
(2S,4R)-azetidine-2,4-dicarboxylic acid
CID 2733517
piperazine-1,2,3,4-tetracarboxylic acid
CID 167313718
2-(3,6-diazabicyclo[3.1.1]heptan-3-yl)propanoic acid
CID 84765770

Frequently Asked Questions

What is the IUPAC name of (1R)-2,5-diazabicyclo[2.2.1]heptane-2,6-dicarboxylic acid?
The IUPAC name of (1R)-2,5-diazabicyclo[2.2.1]heptane-2,6-dicarboxylic acid (CID 68887875) is (1R)-2,5-diazabicyclo[2.2.1]heptane-2,6-dicarboxylic acid.
What is the SMILES notation for (1R)-2,5-diazabicyclo[2.2.1]heptane-2,6-dicarboxylic acid?
The canonical SMILES for (1R)-2,5-diazabicyclo[2.2.1]heptane-2,6-dicarboxylic acid is O=C(O)C1NC2C[C@H]1N(C(=O)O)C2.
What is the InChIKey of (1R)-2,5-diazabicyclo[2.2.1]heptane-2,6-dicarboxylic acid?
The InChIKey is AMGZCKXSCSECFQ-ACHVEOLNSA-N. The full InChI is InChI=1S/C7H10N2O4/c10-6(11)5-4-1-3(8-5)2-9(4)7(12)13/h3-5,8H,1-2H2,(H,10,11)(H,12,13)/t3?,4-,5?/m1/s1.
What are the key properties of (1R)-2,5-diazabicyclo[2.2.1]heptane-2,6-dicarboxylic acid?
(1R)-2,5-diazabicyclo[2.2.1]heptane-2,6-dicarboxylic acid has a molecular weight of 186.17 g/mol, XLogP of -0.84, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,5-diazabicyclo[2.2.1]heptane-2,6-dicarboxylic acid is sourced from PubChem (CID 68887875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).