cis-(1S,2R)-cyclopentane-1,2-dicarboxylic acid

C7H10O4 — CID 727374

IUPACcis-(1S,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+
InChIKeyASJCSAKCMTWGAH-SYDPRGILSA-N
MW158.15 g/mol
LogP0.57
Rot. Bonds2

About cis-(1S,2R)-cyclopentane-1,2-dicarboxylic acid

cis-(1S,2R)-cyclopentane-1,2-dicarboxylic acid (PubChem CID 727374) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is cis-(1S,2R)-cyclopentane-1,2-dicarboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-cyclopentane-1,2-dicarboxylic acid
PubChem CID727374
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Namecis-(1S,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+
InChIKeyASJCSAKCMTWGAH-SYDPRGILSA-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 cis-(1S,2R)-cyclopentane-1,2-dicarboxylic acid?
The IUPAC name of cis-(1S,2R)-cyclopentane-1,2-dicarboxylic acid (CID 727374) is cis-(1S,2R)-cyclopentane-1,2-dicarboxylic acid.
What is the SMILES notation for cis-(1S,2R)-cyclopentane-1,2-dicarboxylic acid?
The canonical SMILES for cis-(1S,2R)-cyclopentane-1,2-dicarboxylic acid is O=C(O)[C@H]1CCC[C@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-cyclopentane-1,2-dicarboxylic acid?
The InChIKey is ASJCSAKCMTWGAH-SYDPRGILSA-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+.
What are the key properties of cis-(1S,2R)-cyclopentane-1,2-dicarboxylic acid?
cis-(1S,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 cis-(1S,2R)-cyclopentane-1,2-dicarboxylic acid is sourced from PubChem (CID 727374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).