2-(Tetrahydrofuran-2-YL)cyclopropane-1-carboxylic acid

C8H12O3 — CID 82836902

IUPAC2-(oxolan-2-yl)cyclopropane-1-carboxylic acid
SMILESC1CC(OC1)C2CC2C(=O)O
InChIInChI=1S/C8H12O3/c9-8(10)6-4-5(6)7-2-1-3-11-7/h5-7H,1-4H2,(H,9,10)
InChIKeyYCNDRFSHDFNOFP-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.60
Rot. Bonds2

About 2-(Tetrahydrofuran-2-YL)cyclopropane-1-carboxylic acid

2-(Tetrahydrofuran-2-YL)cyclopropane-1-carboxylic acid (PubChem CID 82836902) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-(oxolan-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(Tetrahydrofuran-2-YL)cyclopropane-1-carboxylic acid
PubChem CID82836902
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-(oxolan-2-yl)cyclopropane-1-carboxylic acid
SMILESC1CC(OC1)C2CC2C(=O)O
InChIInChI=1S/C8H12O3/c9-8(10)6-4-5(6)7-2-1-3-11-7/h5-7H,1-4H2,(H,9,10)
InChIKeyYCNDRFSHDFNOFP-UHFFFAOYSA-N
XLogP0.60
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity178

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Oxo-5-pentyl-tetrahydro-furan-3-yl)-acetic acid
CID 3242755
(3S,5S)-3-(2-hydroxyethyl)-5-[(2R)-2-hydroxypropyl]oxolan-2-one
CID 641678
2-[2-(Oxolan-2-yl)ethyl]decanoic acid
CID 156015011
(3R,5S)-3-(2-hydroxyethyl)-5-[(2S)-2-hydroxypropyl]oxolan-2-one
CID 162852036
5-Decyl-3-(2-hydroxyethyl)oxolan-2-one
CID 162927276
rac-2-((1R,2R,4S)-7-oxabicyclo(2.2.1)heptan-2-yl)acetic acid
CID 96634927
rac-(1R,2R)-2-(oxolan-2-yl)cyclopropane-1-carboxylic acid
CID 132351199
3-(2-Hydroxyethyl)-5-(2-hydroxypropyl)oxolan-2-one
CID 11008662
(+/-)-tert-Butyl 2-(5-oxotetrahydrofuran-2-yl)cyclopropanecarboxylate
CID 49831088
Ethyl 2-(1-hydroxy-3,7-dimethyloctyl)-3-methylcyclopropane-1-carboxylate
CID 134870935
4,4,4-Trifluoro-3-(oxolan-2-ylmethyl)butanoic acid
CID 82534870
3-Furanacetic acid, 5-decyltetrahydro-alpha-methyl-2-oxo-
CID 587547

Frequently Asked Questions

What is the IUPAC name of 2-(Tetrahydrofuran-2-YL)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(Tetrahydrofuran-2-YL)cyclopropane-1-carboxylic acid (CID 82836902) is 2-(oxolan-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(Tetrahydrofuran-2-YL)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(Tetrahydrofuran-2-YL)cyclopropane-1-carboxylic acid is C1CC(OC1)C2CC2C(=O)O.
What is the InChIKey of 2-(Tetrahydrofuran-2-YL)cyclopropane-1-carboxylic acid?
The InChIKey is YCNDRFSHDFNOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c9-8(10)6-4-5(6)7-2-1-3-11-7/h5-7H,1-4H2,(H,9,10).
What are the key properties of 2-(Tetrahydrofuran-2-YL)cyclopropane-1-carboxylic acid?
2-(Tetrahydrofuran-2-YL)cyclopropane-1-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(Tetrahydrofuran-2-YL)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82836902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).