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

C7H12O3 — CID 55299505

IUPAC2-[(1S,3R)-3-hydroxycyclopentyl]acetic acid
SMILESC1C[C@H](C[C@H]1CC(=O)O)O
InChIInChI=1S/C7H12O3/c8-6-2-1-5(3-6)4-7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6+/m0/s1
InChIKeyIKGUMJUGKJCELW-NTSWFWBYSA-N
MW144.17 g/mol
LogP0.20
Rot. Bonds2

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

rac-2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid (PubChem CID 55299505) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-[(1S,3R)-3-hydroxycyclopentyl]acetic acid.

Molecular Properties

Compound Namerac-2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid
PubChem CID55299505
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-[(1S,3R)-3-hydroxycyclopentyl]acetic acid
SMILESC1C[C@H](C[C@H]1CC(=O)O)O
InChIInChI=1S/C7H12O3/c8-6-2-1-5(3-6)4-7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6+/m0/s1
InChIKeyIKGUMJUGKJCELW-NTSWFWBYSA-N
XLogP0.20
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity133

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of rac-2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid?
The IUPAC name of rac-2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid (CID 55299505) is 2-[(1S,3R)-3-hydroxycyclopentyl]acetic acid.
What is the SMILES notation for rac-2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid?
The canonical SMILES for rac-2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid is C1C[C@H](C[C@H]1CC(=O)O)O.
What is the InChIKey of rac-2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid?
The InChIKey is IKGUMJUGKJCELW-NTSWFWBYSA-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+/m0/s1.
What are the key properties of rac-2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid?
rac-2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid has a molecular weight of 144.17 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for rac-2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid is sourced from PubChem (CID 55299505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).