(2R)-cyclopropane-1,1,2-tricarboxylate

C6H3O6-3 — CID 6923149

IUPAC(2R)-cyclopropane-1,1,2-tricarboxylate
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)/p-3/t2-/m0/s1
InChIKeyYKXAGRCDGMWYRO-REOHCLBHSA-K
MW171.08 g/mol
LogP-4.76
Rot. Bonds3

About (2R)-cyclopropane-1,1,2-tricarboxylate

(2R)-cyclopropane-1,1,2-tricarboxylate (PubChem CID 6923149) has the molecular formula C6H3O6-3 and a molecular weight of 171.08 g/mol. Its IUPAC name is (2R)-cyclopropane-1,1,2-tricarboxylate.

Molecular Properties

Compound Name(2R)-cyclopropane-1,1,2-tricarboxylate
PubChem CID6923149
Molecular FormulaC6H3O6-3
Molecular Weight171.08 g/mol
Exact Mass170.99
IUPAC Name(2R)-cyclopropane-1,1,2-tricarboxylate
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)/p-3/t2-/m0/s1
InChIKeyYKXAGRCDGMWYRO-REOHCLBHSA-K
XLogP-4.76
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.08
LogP ≤ 5-4.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

pentapotassium;cyclopentane-1,1,2,4,4-pentacarboxylate
CID 101297805
2,2,3,3-tetrafluorocyclobutane-1-carboxylate
CID 74420491
cyclopropane-1,1,2-tricarboxylic acid;trihydrochloride
CID 66750138
tetrasodium;cyclopentane-1,1,2,3-tetracarboxylate
CID 101297778
tetrapotassium;cyclopentane-1,1,2,3-tetracarboxylate
CID 101297779
barium(2+);1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 158507106
hexapotassium;cyclopentane-1,1,2,2,3,4-hexacarboxylate
CID 101297816
calcium 1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 140570335
tetrakis(adamantane-1-carboxylate);hafnium(4+)
CID 158683841
tetrakis(adamantane-1-carboxylate);zirconium(4+)
CID 173130566
(1S,5R)-2-azoniabicyclo[3.1.0]hexane-1-carboxylate
CID 11885583
(3R)-2,2-dimethyl-5-oxooxolane-3-carboxylate
CID 6931352

Frequently Asked Questions

What is the IUPAC name of (2R)-cyclopropane-1,1,2-tricarboxylate?
The IUPAC name of (2R)-cyclopropane-1,1,2-tricarboxylate (CID 6923149) is (2R)-cyclopropane-1,1,2-tricarboxylate.
What is the SMILES notation for (2R)-cyclopropane-1,1,2-tricarboxylate?
The canonical SMILES for (2R)-cyclopropane-1,1,2-tricarboxylate is O=C([O-])[C@@H]1CC1(C(=O)[O-])C(=O)[O-].
What is the InChIKey of (2R)-cyclopropane-1,1,2-tricarboxylate?
The InChIKey is YKXAGRCDGMWYRO-REOHCLBHSA-K. 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)/p-3/t2-/m0/s1.
What are the key properties of (2R)-cyclopropane-1,1,2-tricarboxylate?
(2R)-cyclopropane-1,1,2-tricarboxylate has a molecular weight of 171.08 g/mol, XLogP of -4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-cyclopropane-1,1,2-tricarboxylate is sourced from PubChem (CID 6923149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).