trans-(1R,2R)-cyclopentane-1,2-dicarboxylic acid

C7H10O4 — CID 727375

IUPACtrans-(1R,2R)-cyclopentane-1,2-dicarboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@H]1C(=O)O
InChIInChI=1S/C7H10O4/c8-6(9)4-2-1-3-5(4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5-/m1/s1
InChIKeyASJCSAKCMTWGAH-RFZPGFLSSA-N
MW158.15 g/mol
LogP0.57
Rot. Bonds2

About trans-(1R,2R)-cyclopentane-1,2-dicarboxylic acid

trans-(1R,2R)-cyclopentane-1,2-dicarboxylic acid (PubChem CID 727375) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is trans-(1R,2R)-cyclopentane-1,2-dicarboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-cyclopentane-1,2-dicarboxylic acid
PubChem CID727375
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Nametrans-(1R,2R)-cyclopentane-1,2-dicarboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@H]1C(=O)O
InChIInChI=1S/C7H10O4/c8-6(9)4-2-1-3-5(4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5-/m1/s1
InChIKeyASJCSAKCMTWGAH-RFZPGFLSSA-N
XLogP0.57
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-cyclopentane-1,2-dicarboxylic acid?
The IUPAC name of trans-(1R,2R)-cyclopentane-1,2-dicarboxylic acid (CID 727375) is trans-(1R,2R)-cyclopentane-1,2-dicarboxylic acid.
What is the SMILES notation for trans-(1R,2R)-cyclopentane-1,2-dicarboxylic acid?
The canonical SMILES for trans-(1R,2R)-cyclopentane-1,2-dicarboxylic acid is O=C(O)[C@@H]1CCC[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-cyclopentane-1,2-dicarboxylic acid?
The InChIKey is ASJCSAKCMTWGAH-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H10O4/c8-6(9)4-2-1-3-5(4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5-/m1/s1.
What are the key properties of trans-(1R,2R)-cyclopentane-1,2-dicarboxylic acid?
trans-(1R,2R)-cyclopentane-1,2-dicarboxylic acid has a molecular weight of 158.15 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-cyclopentane-1,2-dicarboxylic acid is sourced from PubChem (CID 727375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).