(2R)-2-[(1S)-cyclooct-2-yn-1-yl]-2-hydroxyacetic acid

C10H14O3 — CID 124561894

IUPAC(2R)-2-[(1S)-cyclooct-2-yn-1-yl]-2-hydroxyacetic acid
SMILESO=C(O)[C@H](O)[C@@H]1C#CCCCCC1
InChIInChI=1S/C10H14O3/c11-9(10(12)13)8-6-4-2-1-3-5-7-8/h8-9,11H,1-4,6H2,(H,12,13)/t8-,9+/m0/s1
InChIKeyAEUNUUGGDDUDHL-DTWKUNHWSA-N
MW182.22 g/mol
LogP1.02
Rot. Bonds2

About (2R)-2-[(1S)-cyclooct-2-yn-1-yl]-2-hydroxyacetic acid

(2R)-2-[(1S)-cyclooct-2-yn-1-yl]-2-hydroxyacetic acid (PubChem CID 124561894) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2R)-2-[(1S)-cyclooct-2-yn-1-yl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2R)-2-[(1S)-cyclooct-2-yn-1-yl]-2-hydroxyacetic acid
PubChem CID124561894
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(2R)-2-[(1S)-cyclooct-2-yn-1-yl]-2-hydroxyacetic acid
SMILESO=C(O)[C@H](O)[C@@H]1C#CCCCCC1
InChIInChI=1S/C10H14O3/c11-9(10(12)13)8-6-4-2-1-3-5-7-8/h8-9,11H,1-4,6H2,(H,12,13)/t8-,9+/m0/s1
InChIKeyAEUNUUGGDDUDHL-DTWKUNHWSA-N
XLogP1.02
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-cyclooct-2-yn-1-yl]-2-hydroxyacetic acid?
The IUPAC name of (2R)-2-[(1S)-cyclooct-2-yn-1-yl]-2-hydroxyacetic acid (CID 124561894) is (2R)-2-[(1S)-cyclooct-2-yn-1-yl]-2-hydroxyacetic acid.
What is the SMILES notation for (2R)-2-[(1S)-cyclooct-2-yn-1-yl]-2-hydroxyacetic acid?
The canonical SMILES for (2R)-2-[(1S)-cyclooct-2-yn-1-yl]-2-hydroxyacetic acid is O=C(O)[C@H](O)[C@@H]1C#CCCCCC1.
What is the InChIKey of (2R)-2-[(1S)-cyclooct-2-yn-1-yl]-2-hydroxyacetic acid?
The InChIKey is AEUNUUGGDDUDHL-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H14O3/c11-9(10(12)13)8-6-4-2-1-3-5-7-8/h8-9,11H,1-4,6H2,(H,12,13)/t8-,9+/m0/s1.
What are the key properties of (2R)-2-[(1S)-cyclooct-2-yn-1-yl]-2-hydroxyacetic acid?
(2R)-2-[(1S)-cyclooct-2-yn-1-yl]-2-hydroxyacetic acid has a molecular weight of 182.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-cyclooct-2-yn-1-yl]-2-hydroxyacetic acid is sourced from PubChem (CID 124561894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).