3-cyclopropyl-3,5-dihydroxypentanoic acid

C8H14O4 — CID 25009842

IUPAC3-cyclopropyl-3,5-dihydroxypentanoic acid
SMILESO=C(O)CC(O)(CCO)C1CC1
InChIInChI=1S/C8H14O4/c9-4-3-8(12,5-7(10)11)6-1-2-6/h6,9,12H,1-5H2,(H,10,11)
InChIKeyUTJGUAXVIFAMHA-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.02
Rot. Bonds5

About 3-cyclopropyl-3,5-dihydroxypentanoic acid

3-cyclopropyl-3,5-dihydroxypentanoic acid (PubChem CID 25009842) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-cyclopropyl-3,5-dihydroxypentanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3,5-dihydroxypentanoic acid
PubChem CID25009842
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name3-cyclopropyl-3,5-dihydroxypentanoic acid
SMILESO=C(O)CC(O)(CCO)C1CC1
InChIInChI=1S/C8H14O4/c9-4-3-8(12,5-7(10)11)6-1-2-6/h6,9,12H,1-5H2,(H,10,11)
InChIKeyUTJGUAXVIFAMHA-UHFFFAOYSA-N
XLogP-0.02
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3,5-dihydroxypentanoic acid?
The IUPAC name of 3-cyclopropyl-3,5-dihydroxypentanoic acid (CID 25009842) is 3-cyclopropyl-3,5-dihydroxypentanoic acid.
What is the SMILES notation for 3-cyclopropyl-3,5-dihydroxypentanoic acid?
The canonical SMILES for 3-cyclopropyl-3,5-dihydroxypentanoic acid is O=C(O)CC(O)(CCO)C1CC1.
What is the InChIKey of 3-cyclopropyl-3,5-dihydroxypentanoic acid?
The InChIKey is UTJGUAXVIFAMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c9-4-3-8(12,5-7(10)11)6-1-2-6/h6,9,12H,1-5H2,(H,10,11).
What are the key properties of 3-cyclopropyl-3,5-dihydroxypentanoic acid?
3-cyclopropyl-3,5-dihydroxypentanoic acid has a molecular weight of 174.20 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3,5-dihydroxypentanoic acid is sourced from PubChem (CID 25009842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).