2-(1-hydroxycyclopropyl)-2-methylpropanoic acid

C7H12O3 — CID 84762839

IUPAC2-(1-hydroxycyclopropyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1(O)CC1
InChIInChI=1S/C7H12O3/c1-6(2,5(8)9)7(10)3-4-7/h10H,3-4H2,1-2H3,(H,8,9)
InChIKeySUDFVONUHRTOEM-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.62
Rot. Bonds2

About 2-(1-hydroxycyclopropyl)-2-methylpropanoic acid

2-(1-hydroxycyclopropyl)-2-methylpropanoic acid (PubChem CID 84762839) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-(1-hydroxycyclopropyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1-hydroxycyclopropyl)-2-methylpropanoic acid
PubChem CID84762839
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-(1-hydroxycyclopropyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1(O)CC1
InChIInChI=1S/C7H12O3/c1-6(2,5(8)9)7(10)3-4-7/h10H,3-4H2,1-2H3,(H,8,9)
InChIKeySUDFVONUHRTOEM-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopropyl)-2-methylpropanoic acid?
The IUPAC name of 2-(1-hydroxycyclopropyl)-2-methylpropanoic acid (CID 84762839) is 2-(1-hydroxycyclopropyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1-hydroxycyclopropyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1-hydroxycyclopropyl)-2-methylpropanoic acid is CC(C)(C(=O)O)C1(O)CC1.
What is the InChIKey of 2-(1-hydroxycyclopropyl)-2-methylpropanoic acid?
The InChIKey is SUDFVONUHRTOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-6(2,5(8)9)7(10)3-4-7/h10H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-(1-hydroxycyclopropyl)-2-methylpropanoic acid?
2-(1-hydroxycyclopropyl)-2-methylpropanoic 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-(1-hydroxycyclopropyl)-2-methylpropanoic acid is sourced from PubChem (CID 84762839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).