cis-(1S,2S)-1-chloro-2-methoxycyclopentane-1-carboxylic acid

C7H11ClO3 — CID 67740498

IUPACcis-(1S,2S)-1-chloro-2-methoxycyclopentane-1-carboxylic acid
SMILESCO[C@H]1CCC[C@@]1(Cl)C(=O)O
InChIInChI=1S/C7H11ClO3/c1-11-5-3-2-4-7(5,8)6(9)10/h5H,2-4H2,1H3,(H,9,10)/t5-,7-/m0/s1
InChIKeyWOHYZHMMRFLMGJ-FSPLSTOPSA-N
MW178.61 g/mol
LogP1.25
Rot. Bonds2

About cis-(1S,2S)-1-chloro-2-methoxycyclopentane-1-carboxylic acid

cis-(1S,2S)-1-chloro-2-methoxycyclopentane-1-carboxylic acid (PubChem CID 67740498) has the molecular formula C7H11ClO3 and a molecular weight of 178.61 g/mol. Its IUPAC name is cis-(1S,2S)-1-chloro-2-methoxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2S)-1-chloro-2-methoxycyclopentane-1-carboxylic acid
PubChem CID67740498
Molecular FormulaC7H11ClO3
Molecular Weight178.61 g/mol
Exact Mass178.04
IUPAC Namecis-(1S,2S)-1-chloro-2-methoxycyclopentane-1-carboxylic acid
SMILESCO[C@H]1CCC[C@@]1(Cl)C(=O)O
InChIInChI=1S/C7H11ClO3/c1-11-5-3-2-4-7(5,8)6(9)10/h5H,2-4H2,1H3,(H,9,10)/t5-,7-/m0/s1
InChIKeyWOHYZHMMRFLMGJ-FSPLSTOPSA-N
XLogP1.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.61
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 cis-(1S,2S)-1-chloro-2-methoxycyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2S)-1-chloro-2-methoxycyclopentane-1-carboxylic acid (CID 67740498) is cis-(1S,2S)-1-chloro-2-methoxycyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2S)-1-chloro-2-methoxycyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2S)-1-chloro-2-methoxycyclopentane-1-carboxylic acid is CO[C@H]1CCC[C@@]1(Cl)C(=O)O.
What is the InChIKey of cis-(1S,2S)-1-chloro-2-methoxycyclopentane-1-carboxylic acid?
The InChIKey is WOHYZHMMRFLMGJ-FSPLSTOPSA-N. The full InChI is InChI=1S/C7H11ClO3/c1-11-5-3-2-4-7(5,8)6(9)10/h5H,2-4H2,1H3,(H,9,10)/t5-,7-/m0/s1.
What are the key properties of cis-(1S,2S)-1-chloro-2-methoxycyclopentane-1-carboxylic acid?
cis-(1S,2S)-1-chloro-2-methoxycyclopentane-1-carboxylic acid has a molecular weight of 178.61 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-chloro-2-methoxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 67740498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).