2-(1-hydroxy-3-propan-2-ylcyclobutyl)propanoic acid

C10H18O3 — CID 103564879

IUPAC2-(1-hydroxy-3-propan-2-ylcyclobutyl)propanoic acid
SMILESCC(C)C1CC(O)(C(C)C(=O)O)C1
InChIInChI=1S/C10H18O3/c1-6(2)8-4-10(13,5-8)7(3)9(11)12/h6-8,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyFROCPQFTHMVVKK-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.50
Rot. Bonds3

About 2-(1-hydroxy-3-propan-2-ylcyclobutyl)propanoic acid

2-(1-hydroxy-3-propan-2-ylcyclobutyl)propanoic acid (PubChem CID 103564879) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(1-hydroxy-3-propan-2-ylcyclobutyl)propanoic acid.

Molecular Properties

Compound Name2-(1-hydroxy-3-propan-2-ylcyclobutyl)propanoic acid
PubChem CID103564879
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(1-hydroxy-3-propan-2-ylcyclobutyl)propanoic acid
SMILESCC(C)C1CC(O)(C(C)C(=O)O)C1
InChIInChI=1S/C10H18O3/c1-6(2)8-4-10(13,5-8)7(3)9(11)12/h6-8,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyFROCPQFTHMVVKK-UHFFFAOYSA-N
XLogP1.50
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

ethyl 2-fluoro-2-(1-hydroxy-3-propan-2-ylcyclobutyl)acetate
CID 103564897
1-(dimethylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 103564719
1-pentan-2-yl-3-propan-2-ylcyclobutan-1-ol
CID 107892837
2-(1-hydroxy-4-methylcycloheptyl)propanoic acid
CID 65085394
2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid
CID 103565035
1-cyano-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 65016724
1-(cyclopropylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 103563390
2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid
CID 83042358
2-[3-(1-carboxyethyl)-1-adamantyl]propanoic acid
CID 170199454
1-hydroxy-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 20515751
1-(1-hydroxy-3-propan-2-ylcyclobutyl)cyclobutane-1-carbonitrile
CID 103565491
cis-(1S,4S)-2,2-dimethyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 118343603

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-propan-2-ylcyclobutyl)propanoic acid?
The IUPAC name of 2-(1-hydroxy-3-propan-2-ylcyclobutyl)propanoic acid (CID 103564879) is 2-(1-hydroxy-3-propan-2-ylcyclobutyl)propanoic acid.
What is the SMILES notation for 2-(1-hydroxy-3-propan-2-ylcyclobutyl)propanoic acid?
The canonical SMILES for 2-(1-hydroxy-3-propan-2-ylcyclobutyl)propanoic acid is CC(C)C1CC(O)(C(C)C(=O)O)C1.
What is the InChIKey of 2-(1-hydroxy-3-propan-2-ylcyclobutyl)propanoic acid?
The InChIKey is FROCPQFTHMVVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-6(2)8-4-10(13,5-8)7(3)9(11)12/h6-8,13H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2-(1-hydroxy-3-propan-2-ylcyclobutyl)propanoic acid?
2-(1-hydroxy-3-propan-2-ylcyclobutyl)propanoic acid has a molecular weight of 186.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-propan-2-ylcyclobutyl)propanoic acid is sourced from PubChem (CID 103564879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).