(1R,2R,3R,5R)-2-(carboxymethyl)-3-chloro-5-hydroxycyclopentane-1-carboxylic acid

C8H11ClO5 — CID 70593371

IUPAC(1R,2R,3R,5R)-2-(carboxymethyl)-3-chloro-5-hydroxycyclopentane-1-carboxylic acid
SMILESO=C(O)C[C@@H]1[C@@H](C(=O)O)[C@H](O)C[C@H]1Cl
InChIInChI=1S/C8H11ClO5/c9-4-2-5(10)7(8(13)14)3(4)1-6(11)12/h3-5,7,10H,1-2H2,(H,11,12)(H,13,14)/t3-,4+,5+,7+/m0/s1
InChIKeyKQLSCHHUWWDODO-TWLZVZROSA-N
MW222.62 g/mol
LogP0.15
Rot. Bonds3

About (1R,2R,3R,5R)-2-(carboxymethyl)-3-chloro-5-hydroxycyclopentane-1-carboxylic acid

(1R,2R,3R,5R)-2-(carboxymethyl)-3-chloro-5-hydroxycyclopentane-1-carboxylic acid (PubChem CID 70593371) has the molecular formula C8H11ClO5 and a molecular weight of 222.62 g/mol. Its IUPAC name is (1R,2R,3R,5R)-2-(carboxymethyl)-3-chloro-5-hydroxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,3R,5R)-2-(carboxymethyl)-3-chloro-5-hydroxycyclopentane-1-carboxylic acid
PubChem CID70593371
Molecular FormulaC8H11ClO5
Molecular Weight222.62 g/mol
Exact Mass222.03
IUPAC Name(1R,2R,3R,5R)-2-(carboxymethyl)-3-chloro-5-hydroxycyclopentane-1-carboxylic acid
SMILESO=C(O)C[C@@H]1[C@@H](C(=O)O)[C@H](O)C[C@H]1Cl
InChIInChI=1S/C8H11ClO5/c9-4-2-5(10)7(8(13)14)3(4)1-6(11)12/h3-5,7,10H,1-2H2,(H,11,12)(H,13,14)/t3-,4+,5+,7+/m0/s1
InChIKeyKQLSCHHUWWDODO-TWLZVZROSA-N
XLogP0.15
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.62
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,5R)-2-(carboxymethyl)-3-chloro-5-hydroxycyclopentane-1-carboxylic acid?
The IUPAC name of (1R,2R,3R,5R)-2-(carboxymethyl)-3-chloro-5-hydroxycyclopentane-1-carboxylic acid (CID 70593371) is (1R,2R,3R,5R)-2-(carboxymethyl)-3-chloro-5-hydroxycyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,2R,3R,5R)-2-(carboxymethyl)-3-chloro-5-hydroxycyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,2R,3R,5R)-2-(carboxymethyl)-3-chloro-5-hydroxycyclopentane-1-carboxylic acid is O=C(O)C[C@@H]1[C@@H](C(=O)O)[C@H](O)C[C@H]1Cl.
What is the InChIKey of (1R,2R,3R,5R)-2-(carboxymethyl)-3-chloro-5-hydroxycyclopentane-1-carboxylic acid?
The InChIKey is KQLSCHHUWWDODO-TWLZVZROSA-N. The full InChI is InChI=1S/C8H11ClO5/c9-4-2-5(10)7(8(13)14)3(4)1-6(11)12/h3-5,7,10H,1-2H2,(H,11,12)(H,13,14)/t3-,4+,5+,7+/m0/s1.
What are the key properties of (1R,2R,3R,5R)-2-(carboxymethyl)-3-chloro-5-hydroxycyclopentane-1-carboxylic acid?
(1R,2R,3R,5R)-2-(carboxymethyl)-3-chloro-5-hydroxycyclopentane-1-carboxylic acid has a molecular weight of 222.62 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,5R)-2-(carboxymethyl)-3-chloro-5-hydroxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 70593371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).