2-[(1R,2R,3R,5R)-5-chloro-2-formyl-3-hydroxycyclopentyl]acetic acid

C8H11ClO4 — CID 88781594

IUPAC2-[(1R,2R,3R,5R)-5-chloro-2-formyl-3-hydroxycyclopentyl]acetic acid
SMILESO=C[C@@H]1[C@@H](CC(=O)O)[C@H](Cl)C[C@H]1O
InChIInChI=1S/C8H11ClO4/c9-6-2-7(11)5(3-10)4(6)1-8(12)13/h3-7,11H,1-2H2,(H,12,13)/t4-,5-,6-,7-/m1/s1
InChIKeyBNZPBOZMQGLRNO-DBRKOABJSA-N
MW206.62 g/mol
LogP0.26
Rot. Bonds3

About 2-[(1R,2R,3R,5R)-5-chloro-2-formyl-3-hydroxycyclopentyl]acetic acid

2-[(1R,2R,3R,5R)-5-chloro-2-formyl-3-hydroxycyclopentyl]acetic acid (PubChem CID 88781594) has the molecular formula C8H11ClO4 and a molecular weight of 206.62 g/mol. Its IUPAC name is 2-[(1R,2R,3R,5R)-5-chloro-2-formyl-3-hydroxycyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2R,3R,5R)-5-chloro-2-formyl-3-hydroxycyclopentyl]acetic acid
PubChem CID88781594
Molecular FormulaC8H11ClO4
Molecular Weight206.62 g/mol
Exact Mass206.03
IUPAC Name2-[(1R,2R,3R,5R)-5-chloro-2-formyl-3-hydroxycyclopentyl]acetic acid
SMILESO=C[C@@H]1[C@@H](CC(=O)O)[C@H](Cl)C[C@H]1O
InChIInChI=1S/C8H11ClO4/c9-6-2-7(11)5(3-10)4(6)1-8(12)13/h3-7,11H,1-2H2,(H,12,13)/t4-,5-,6-,7-/m1/s1
InChIKeyBNZPBOZMQGLRNO-DBRKOABJSA-N
XLogP0.26
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.62
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,3R,5R)-5-chloro-2-formyl-3-hydroxycyclopentyl]acetic acid?
The IUPAC name of 2-[(1R,2R,3R,5R)-5-chloro-2-formyl-3-hydroxycyclopentyl]acetic acid (CID 88781594) is 2-[(1R,2R,3R,5R)-5-chloro-2-formyl-3-hydroxycyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R,2R,3R,5R)-5-chloro-2-formyl-3-hydroxycyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R,2R,3R,5R)-5-chloro-2-formyl-3-hydroxycyclopentyl]acetic acid is O=C[C@@H]1[C@@H](CC(=O)O)[C@H](Cl)C[C@H]1O.
What is the InChIKey of 2-[(1R,2R,3R,5R)-5-chloro-2-formyl-3-hydroxycyclopentyl]acetic acid?
The InChIKey is BNZPBOZMQGLRNO-DBRKOABJSA-N. The full InChI is InChI=1S/C8H11ClO4/c9-6-2-7(11)5(3-10)4(6)1-8(12)13/h3-7,11H,1-2H2,(H,12,13)/t4-,5-,6-,7-/m1/s1.
What are the key properties of 2-[(1R,2R,3R,5R)-5-chloro-2-formyl-3-hydroxycyclopentyl]acetic acid?
2-[(1R,2R,3R,5R)-5-chloro-2-formyl-3-hydroxycyclopentyl]acetic acid has a molecular weight of 206.62 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,3R,5R)-5-chloro-2-formyl-3-hydroxycyclopentyl]acetic acid is sourced from PubChem (CID 88781594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).