(2R)-cyclopropane-1,1,2-tricarboxylic acid

C6H6O6 — CID 699249

IUPAC(2R)-cyclopropane-1,1,2-tricarboxylic acid
SMILESO=C(O)[C@@H]1CC1(C(=O)O)C(=O)O
InChIInChI=1S/C6H6O6/c7-3(8)2-1-6(2,4(9)10)5(11)12/h2H,1H2,(H,7,8)(H,9,10)(H,11,12)/t2-/m0/s1
InChIKeyYKXAGRCDGMWYRO-REOHCLBHSA-N
MW174.11 g/mol
LogP-0.75
Rot. Bonds3

About (2R)-cyclopropane-1,1,2-tricarboxylic acid

(2R)-cyclopropane-1,1,2-tricarboxylic acid (PubChem CID 699249) has the molecular formula C6H6O6 and a molecular weight of 174.11 g/mol. Its IUPAC name is (2R)-cyclopropane-1,1,2-tricarboxylic acid.

Molecular Properties

Compound Name(2R)-cyclopropane-1,1,2-tricarboxylic acid
PubChem CID699249
Molecular FormulaC6H6O6
Molecular Weight174.11 g/mol
Exact Mass174.02
IUPAC Name(2R)-cyclopropane-1,1,2-tricarboxylic acid
SMILESO=C(O)[C@@H]1CC1(C(=O)O)C(=O)O
InChIInChI=1S/C6H6O6/c7-3(8)2-1-6(2,4(9)10)5(11)12/h2H,1H2,(H,7,8)(H,9,10)(H,11,12)/t2-/m0/s1
InChIKeyYKXAGRCDGMWYRO-REOHCLBHSA-N
XLogP-0.75
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-cyclopropane-1,1,2-tricarboxylic acid?
The IUPAC name of (2R)-cyclopropane-1,1,2-tricarboxylic acid (CID 699249) is (2R)-cyclopropane-1,1,2-tricarboxylic acid.
What is the SMILES notation for (2R)-cyclopropane-1,1,2-tricarboxylic acid?
The canonical SMILES for (2R)-cyclopropane-1,1,2-tricarboxylic acid is O=C(O)[C@@H]1CC1(C(=O)O)C(=O)O.
What is the InChIKey of (2R)-cyclopropane-1,1,2-tricarboxylic acid?
The InChIKey is YKXAGRCDGMWYRO-REOHCLBHSA-N. The full InChI is InChI=1S/C6H6O6/c7-3(8)2-1-6(2,4(9)10)5(11)12/h2H,1H2,(H,7,8)(H,9,10)(H,11,12)/t2-/m0/s1.
What are the key properties of (2R)-cyclopropane-1,1,2-tricarboxylic acid?
(2R)-cyclopropane-1,1,2-tricarboxylic acid has a molecular weight of 174.11 g/mol, XLogP of -0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-cyclopropane-1,1,2-tricarboxylic acid is sourced from PubChem (CID 699249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).