2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid

C7H12O3 — CID 66658755

IUPAC2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid
SMILESO=C(O)C[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C7H12O3/c8-6-2-1-5(3-6)4-7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6+/m1/s1
InChIKeyIKGUMJUGKJCELW-RITPCOANSA-N
MW144.17 g/mol
LogP0.62
Rot. Bonds2

About 2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid

2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid (PubChem CID 66658755) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid
PubChem CID66658755
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid
SMILESO=C(O)C[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C7H12O3/c8-6-2-1-5(3-6)4-7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6+/m1/s1
InChIKeyIKGUMJUGKJCELW-RITPCOANSA-N
XLogP0.62
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid?
The IUPAC name of 2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid (CID 66658755) is 2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid is O=C(O)C[C@@H]1CC[C@H](O)C1.
What is the InChIKey of 2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid?
The InChIKey is IKGUMJUGKJCELW-RITPCOANSA-N. The full InChI is InChI=1S/C7H12O3/c8-6-2-1-5(3-6)4-7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6+/m1/s1.
What are the key properties of 2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid?
2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid has a molecular weight of 144.17 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid is sourced from PubChem (CID 66658755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).