cis-(1R,3S)-3-methoxycyclopentane-1-carboxylic acid

C7H12O3 — CID 55298805

IUPACcis-(1R,3S)-3-methoxycyclopentane-1-carboxylic acid
SMILESCO[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C7H12O3/c1-10-6-3-2-5(4-6)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6+/m1/s1
InChIKeyPJEAKWXFTMRJMA-RITPCOANSA-N
MW144.17 g/mol
LogP0.89
Rot. Bonds2

About cis-(1R,3S)-3-methoxycyclopentane-1-carboxylic acid

cis-(1R,3S)-3-methoxycyclopentane-1-carboxylic acid (PubChem CID 55298805) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is cis-(1R,3S)-3-methoxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-methoxycyclopentane-1-carboxylic acid
PubChem CID55298805
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namecis-(1R,3S)-3-methoxycyclopentane-1-carboxylic acid
SMILESCO[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C7H12O3/c1-10-6-3-2-5(4-6)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6+/m1/s1
InChIKeyPJEAKWXFTMRJMA-RITPCOANSA-N
XLogP0.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-methoxycyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-methoxycyclopentane-1-carboxylic acid (CID 55298805) is cis-(1R,3S)-3-methoxycyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-methoxycyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-methoxycyclopentane-1-carboxylic acid is CO[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-methoxycyclopentane-1-carboxylic acid?
The InChIKey is PJEAKWXFTMRJMA-RITPCOANSA-N. The full InChI is InChI=1S/C7H12O3/c1-10-6-3-2-5(4-6)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6+/m1/s1.
What are the key properties of cis-(1R,3S)-3-methoxycyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-methoxycyclopentane-1-carboxylic acid has a molecular weight of 144.17 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-methoxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 55298805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).