3-cyclopropyl-3-hydroxy-2-propan-2-ylbutanoic acid

C10H18O3 — CID 62397442

IUPAC3-cyclopropyl-3-hydroxy-2-propan-2-ylbutanoic acid
SMILESCC(C)C(C(=O)O)C(C)(O)C1CC1
InChIInChI=1S/C10H18O3/c1-6(2)8(9(11)12)10(3,13)7-4-5-7/h6-8,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyGEJOWPXAWFMWBX-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.50
Rot. Bonds4

About 3-cyclopropyl-3-hydroxy-2-propan-2-ylbutanoic acid

3-cyclopropyl-3-hydroxy-2-propan-2-ylbutanoic acid (PubChem CID 62397442) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-cyclopropyl-3-hydroxy-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-hydroxy-2-propan-2-ylbutanoic acid
PubChem CID62397442
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3-cyclopropyl-3-hydroxy-2-propan-2-ylbutanoic acid
SMILESCC(C)C(C(=O)O)C(C)(O)C1CC1
InChIInChI=1S/C10H18O3/c1-6(2)8(9(11)12)10(3,13)7-4-5-7/h6-8,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyGEJOWPXAWFMWBX-UHFFFAOYSA-N
XLogP1.50
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-hydroxy-2-propan-2-ylbutanoic acid?
The IUPAC name of 3-cyclopropyl-3-hydroxy-2-propan-2-ylbutanoic acid (CID 62397442) is 3-cyclopropyl-3-hydroxy-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-hydroxy-2-propan-2-ylbutanoic acid?
The canonical SMILES for 3-cyclopropyl-3-hydroxy-2-propan-2-ylbutanoic acid is CC(C)C(C(=O)O)C(C)(O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-hydroxy-2-propan-2-ylbutanoic acid?
The InChIKey is GEJOWPXAWFMWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-6(2)8(9(11)12)10(3,13)7-4-5-7/h6-8,13H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 3-cyclopropyl-3-hydroxy-2-propan-2-ylbutanoic acid?
3-cyclopropyl-3-hydroxy-2-propan-2-ylbutanoic acid has a molecular weight of 186.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-hydroxy-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 62397442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).