1-hydroxy-2-propan-2-ylcyclopropane-1-carboxylic acid

C7H12O3 — CID 20515751

IUPAC1-hydroxy-2-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCC(C)C1CC1(O)C(=O)O
InChIInChI=1S/C7H12O3/c1-4(2)5-3-7(5,10)6(8)9/h4-5,10H,3H2,1-2H3,(H,8,9)
InChIKeyKVWCLKDNIMPGIA-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.48
Rot. Bonds2

About 1-hydroxy-2-propan-2-ylcyclopropane-1-carboxylic acid

1-hydroxy-2-propan-2-ylcyclopropane-1-carboxylic acid (PubChem CID 20515751) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-hydroxy-2-propan-2-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-2-propan-2-ylcyclopropane-1-carboxylic acid
PubChem CID20515751
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name1-hydroxy-2-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCC(C)C1CC1(O)C(=O)O
InChIInChI=1S/C7H12O3/c1-4(2)5-3-7(5,10)6(8)9/h4-5,10H,3H2,1-2H3,(H,8,9)
InChIKeyKVWCLKDNIMPGIA-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-propan-2-ylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-hydroxy-2-propan-2-ylcyclopropane-1-carboxylic acid (CID 20515751) is 1-hydroxy-2-propan-2-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-2-propan-2-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-2-propan-2-ylcyclopropane-1-carboxylic acid is CC(C)C1CC1(O)C(=O)O.
What is the InChIKey of 1-hydroxy-2-propan-2-ylcyclopropane-1-carboxylic acid?
The InChIKey is KVWCLKDNIMPGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-4(2)5-3-7(5,10)6(8)9/h4-5,10H,3H2,1-2H3,(H,8,9).
What are the key properties of 1-hydroxy-2-propan-2-ylcyclopropane-1-carboxylic acid?
1-hydroxy-2-propan-2-ylcyclopropane-1-carboxylic acid has a molecular weight of 144.17 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-propan-2-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 20515751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).