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

C7H12O3 — CID 22800145

IUPAC2-[(1S,2R)-2-hydroxycyclopentyl]acetic acid
SMILESO=C(O)C[C@@H]1CCC[C@H]1O
InChIInChI=1S/C7H12O3/c8-6-3-1-2-5(6)4-7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6+/m0/s1
InChIKeyWWGSGBFRODAXAP-NTSWFWBYSA-N
MW144.17 g/mol
LogP0.62
Rot. Bonds2

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

2-[(1S,2R)-2-hydroxycyclopentyl]acetic acid (PubChem CID 22800145) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-[(1S,2R)-2-hydroxycyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,2R)-2-hydroxycyclopentyl]acetic acid
PubChem CID22800145
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-[(1S,2R)-2-hydroxycyclopentyl]acetic acid
SMILESO=C(O)C[C@@H]1CCC[C@H]1O
InChIInChI=1S/C7H12O3/c8-6-3-1-2-5(6)4-7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6+/m0/s1
InChIKeyWWGSGBFRODAXAP-NTSWFWBYSA-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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Related Compounds

(1S,3R)-3-Hydroxycyclohexanecarboxylic acid
CID 55299919
Cyclopentanehexanoic acid, 2-hydroxy-
CID 218608
Cyclopentaneheptanoic acid, 2-hydroxy-
CID 3040252
(1R,3S)-3-hydroxycyclohexane-1-carboxylic acid
CID 13413125
(1S,3S)-3-Hydroxycyclohexane-1-carboxylic acid
CID 13413126
trans-3-Hydroxycyclohexanecarboxylic acid
CID 23423022
Cyclopentaneundecanoic acid, 2-hydroxy-
CID 201900
3-Hydroxycyclohexanecarboxylic Acid
CID 5255726
(2S)-2-cyclopentyl-2-hydroxyacetic acid
CID 52333148
(2R)-2-cyclopentyl-2-hydroxyacetic acid
CID 52333150
Cyclopentanone, 2-(2-hydroxyethyl)-
CID 12204844
trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carboxylic acid
CID 57162752

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-hydroxycyclopentyl]acetic acid?
The IUPAC name of 2-[(1S,2R)-2-hydroxycyclopentyl]acetic acid (CID 22800145) is 2-[(1S,2R)-2-hydroxycyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1S,2R)-2-hydroxycyclopentyl]acetic acid?
The canonical SMILES for 2-[(1S,2R)-2-hydroxycyclopentyl]acetic acid is O=C(O)C[C@@H]1CCC[C@H]1O.
What is the InChIKey of 2-[(1S,2R)-2-hydroxycyclopentyl]acetic acid?
The InChIKey is WWGSGBFRODAXAP-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H12O3/c8-6-3-1-2-5(6)4-7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6+/m0/s1.
What are the key properties of 2-[(1S,2R)-2-hydroxycyclopentyl]acetic acid?
2-[(1S,2R)-2-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-[(1S,2R)-2-hydroxycyclopentyl]acetic acid is sourced from PubChem (CID 22800145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).