3-ethyl-1-hydroxycyclobutane-1-carboxylic acid

C7H12O3 — CID 90717755

IUPAC3-ethyl-1-hydroxycyclobutane-1-carboxylic acid
SMILESCCC1CC(O)(C(=O)O)C1
InChIInChI=1S/C7H12O3/c1-2-5-3-7(10,4-5)6(8)9/h5,10H,2-4H2,1H3,(H,8,9)
InChIKeyAZMSEZAKUJSFOI-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.62
Rot. Bonds2

About 3-ethyl-1-hydroxycyclobutane-1-carboxylic acid

3-ethyl-1-hydroxycyclobutane-1-carboxylic acid (PubChem CID 90717755) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-ethyl-1-hydroxycyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-hydroxycyclobutane-1-carboxylic acid
PubChem CID90717755
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name3-ethyl-1-hydroxycyclobutane-1-carboxylic acid
SMILESCCC1CC(O)(C(=O)O)C1
InChIInChI=1S/C7H12O3/c1-2-5-3-7(10,4-5)6(8)9/h5,10H,2-4H2,1H3,(H,8,9)
InChIKeyAZMSEZAKUJSFOI-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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Related Compounds

3-ethyl-1-phenylcyclobutane-1-carboxylic acid
CID 65000498
6-ethylcycloheptane-1,1,2,2,3,3,4,4-octol
CID 174342158
cis-(3S,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid
CID 1268037
1-(cyclohexen-1-yl)-3-ethylcyclobutane-1-carboxylic acid
CID 116659324
acetic acid;ethylcyclopropane
CID 175213909
1-(3-chlorophenyl)-3-ethylcyclobutane-1-carboxylic acid
CID 65000366
1-hydroxy-4-pentylcyclohexane-1-carboxylic acid
CID 118325551
1-(1-carboxycyclohexyl)-4-ethylcyclohexane-1-carboxylic acid
CID 70366227
2-(3-ethyl-1-hydroxycyclopentyl)-2-fluoroacetic acid
CID 79367180
1-[cyclopropyl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 82238491
1-hydroxy-3-methylcyclopentane-1-carboxylic acid
CID 43142852
3-ethyl-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid
CID 64999935

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-hydroxycyclobutane-1-carboxylic acid?
The IUPAC name of 3-ethyl-1-hydroxycyclobutane-1-carboxylic acid (CID 90717755) is 3-ethyl-1-hydroxycyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-hydroxycyclobutane-1-carboxylic acid?
The canonical SMILES for 3-ethyl-1-hydroxycyclobutane-1-carboxylic acid is CCC1CC(O)(C(=O)O)C1.
What is the InChIKey of 3-ethyl-1-hydroxycyclobutane-1-carboxylic acid?
The InChIKey is AZMSEZAKUJSFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-2-5-3-7(10,4-5)6(8)9/h5,10H,2-4H2,1H3,(H,8,9).
What are the key properties of 3-ethyl-1-hydroxycyclobutane-1-carboxylic acid?
3-ethyl-1-hydroxycyclobutane-1-carboxylic 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 3-ethyl-1-hydroxycyclobutane-1-carboxylic acid is sourced from PubChem (CID 90717755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).